N-(2-methylphenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: N-(2-methylphenyl)-3-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(o-tolyl)propanamide CAS Name: N-(2-methylphenyl)-3-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methylphenyl)propanamide Traditional Name: 3-(4-benzylpiperazine-1,4-diium-1-yl)-N-(o-tolyl)propionamide Formula: C21H29N3O+2 MolecularWeight: 339.47446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-18-7-5-6-10-20(18)22-21(25)11-12-23-13-15-24(16-14-23)17-19-8-3-2-4-9-19/h2-10H,11-17H2,1H3,(H,22,25)/p+2