(2S)-N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-2-(4-phenylpiperazin-1-ium-1-yl)-N-(p-tolylmethyl)propanamide CAS Name: (2S)-N-[(4-methylphenyl)methyl]-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-methylbenzyl)-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-17-8-10-19(11-9-17)16-22-21(25)18(2)23-12-14-24(15-13-23)20-6-4-3-5-7-20/h3-11,18H,12-16H2,1-2H3,(H,22,25)/p+1/t18-/m0/s1