3-[[4-(azepan-1-yl)piperidin-1-yl]methyl]-1H-indole; ethanedioic acid

Systemtic Name: 3-[[4-(azepan-1-yl)piperidin-1-yl]methyl]-1H-indole; ethanedioic acid Openeye Name: 3-[[4-(azepan-1-yl)-1-piperidyl]methyl]-1H-indole; oxalic acid CAS Name: 3-[[4-(1-azepanyl)-1-piperidinyl]methyl]-1H-indole; oxalic acid IUPAC Name: 3-[[4-(azepan-1-yl)piperidin-1-yl]methyl]-1H-indole; oxalic acid Traditional Name: 3-[[4-(azepan-1-yl)piperidino]methyl]-1H-indole; oxalic acid Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCCN(CC1)C2CCN(CC2)CC3=CNC4=CC=CC=C43.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H29N3.C2H2O4/c1-2-6-12-23(11-5-1)18-9-13-22(14-10-18)16-17-15-21-20-8-4-3-7-19(17)20;3-1(4)2(5)6/h3-4,7-8,15,18,21H,1-2,5-6,9-14,16H2;(H,3,4)(H,5,6)