RInChI=1.00.1S/C17H21BrN2/c1-11(2)13-7-5-8-14(12(3)4)17(13)20-16-10-6-9-15(18)19-16/h5-12H,1-4H3,(H,19,20)!C6H7BO2/c8-7(9)6-4-2-1-3-5-6/h1-5,8-9H!CH2O3.2Na/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2<>C23H26N2/c1-16(2)19-12-8-13-20(17(3)4)23(19)25-22-15-9-14-21(24-22)18-10-6-5-7-11-18/h5-17H,1-4H3,(H,24,25)<>C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/d+

RAuxInfo=1.00.1/1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20/E:(1,2,3,4)(7,8)(11,12)(13,14)/rA:20CCCCCCCCCCCCCCCCCBrNN/rB:;;;;;d5;s5;d6;s6;s1s2;s3s4;s7s11;d8s12;s9;d10;d13s14;s15;d15s16;s16s17;/rC:;;;;;;;;;;;;;;;;;;;;!0/N:1,2,3,4,5,6,7,8,9/E:(2,3)(4,5)(8,9)/rA:9CCCCCCBOO/rB:d1;s1;s2;d3;d4s5;s6;s7;s7;/rC:;;;;;;;;;!1/N:1,2,3,4;5;6/E:(2,3,4);;/rA:6COO-O-Na+Na+/rB:d1;s1;s1;;;/rC:;;;;;;<>1/N:1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25/E:(1,2,3,4)(6,7)(10,11)(12,13)(16,17)(19,20)/rA:25CCCCCCCCCCCCCCCCCCCCCCCNN/rB:;;;;d5;s5;;;s6;d7;d8;s8;d9;s9;s1s2;s3s4;d10s11;s12s16;d13s17;s14s18;d15;d19s20;d21s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;<>0/N:1,2,3,4,5,6,7/E:(3,4)(5,6)/rA:7CCCCCCC/rB:;d2;s2;s3;d4;s1d5s6;/rC:;;;;;;;

Long-RInChIKey=SA-FUHFF-OTWXHOUIAOPQLG-UHFFFAOYSA-N-HXITXNWTGFUOAU-UHFFFAOYSA-N-CDBYLPFSWZWCQE-UHFFFAOYSA-L--XJMCHYABSNFJDV-UHFFFAOYSA-N--YXFVVABEGXRONW-UHFFFAOYSA-N

Short-RInChIKey=SA-FUHFF-ANYDJTPTFB-XJMCHYABSN-YXFVVABEGX-LUHFF-NUHFF-NUHFF-ZZZ

Web-RInChIKey=LNPQGDUKVJFAKOUUN-LUHFFFADPSCTJSA