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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)CC4=CNC5=CC=CC=C54.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)CC4=CNC5=CC=CC=C54.C(=O)(C(=O)O)O

InChI

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