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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

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