N-(3-methylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: N-(3-methylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: N-(m-tolyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: N-(3-methylphenyl)-3-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: N-(3-methylphenyl)-3-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: N-(m-tolyl)-3-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O/c1-17-6-5-7-18(16-17)21-20(24)10-11-22-12-14-23(15-13-22)19-8-3-2-4-9-19/h2-9,16H,10-15H2,1H3,(H,21,24)/p+1