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

Systemtic Name: ethanedioic acid; 3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]-1H-indole Openeye Name: 3-[[4-(2-naphthylmethyl)piperazin-1-yl]methyl]-1H-indole; oxalic acid CAS Name: 3-[[4-(2-naphthalenylmethyl)-1-piperazinyl]methyl]-1H-indole; oxalic acid IUPAC Name: 3-[[4-(naphthalen-2-ylmethyl)piperazin-1-yl]methyl]-1H-indole; oxalic acid Traditional Name: 3-[[4-(2-naphthylmethyl)piperazino]methyl]-1H-indole; oxalic acid Formula: C26H27N3O4 MolecularWeight: 445.51028

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=CC=CC=C3C=C2)CC4=CNC5=CC=CC=C54.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC3=CC=CC=C3C=C2)CC4=CNC5=CC=CC=C54.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H25N3.C2H2O4/c1-2-6-21-15-19(9-10-20(21)5-1)17-26-11-13-27(14-12-26)18-22-16-25-24-8-4-3-7-23(22)24;3-1(4)2(5)6/h1-10,15-16,25H,11-14,17-18H2;(H,3,4)(H,5,6)