3-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-1H-indole; ethanedioic acid

Systemtic Name: 3-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-1H-indole; ethanedioic acid Openeye Name: 3-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-1H-indole; oxalic acid CAS Name: 3-[[4-[(2-bromophenyl)methyl]-1-piperazinyl]methyl]-1H-indole; oxalic acid IUPAC Name: 3-[[4-[(2-bromophenyl)methyl]piperazin-1-yl]methyl]-1H-indole; oxalic acid Traditional Name: 3-[[4-(2-bromobenzyl)piperazino]methyl]-1H-indole; oxalic acid Formula: C22H24BrN3O4 MolecularWeight: 474.34766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Br)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Br)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H22BrN3.C2H2O4/c21-19-7-3-1-5-16(19)14-23-9-11-24(12-10-23)15-17-13-22-20-8-4-2-6-18(17)20;3-1(4)2(5)6/h1-8,13,22H,9-12,14-15H2;(H,3,4)(H,5,6)