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

Systemtic Name: ethanedioic acid; 3-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole Openeye Name: oxalic acid; 3-[[4-(p-tolylmethyl)piperazin-1-yl]methyl]-1H-indole CAS Name: 3-[[4-[(4-methylphenyl)methyl]-1-piperazinyl]methyl]-1H-indole; oxalic acid IUPAC Name: 3-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]methyl]-1H-indole; oxalic acid Traditional Name: 3-[[4-(4-methylbenzyl)piperazino]methyl]-1H-indole; oxalic acid Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H25N3.C2H2O4/c1-17-6-8-18(9-7-17)15-23-10-12-24(13-11-23)16-19-14-22-21-5-3-2-4-20(19)21;3-1(4)2(5)6/h2-9,14,22H,10-13,15-16H2,1H3;(H,3,4)(H,5,6)