N-(3-methylphenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide chloride

Systemtic Name: N-(3-methylphenyl)-3-[4-(phenylmethyl)piperazin-1-ium-1-yl]propanamide chloride Openeye Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(m-tolyl)propanamide chloride CAS Name: N-(3-methylphenyl)-3-[4-(phenylmethyl)-1-piperazin-1-iumyl]propanamide chloride IUPAC Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(3-methylphenyl)propanamide chloride Traditional Name: 3-(4-benzylpiperazin-1-ium-1-yl)-N-(m-tolyl)propionamide chloride Formula: C21H28ClN3O MolecularWeight: 373.91952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O.ClH/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);1H