2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[(3S)-3-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[(3S)-3-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C20H26N3O+ MolecularWeight: 324.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=C(C=C2)C)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O/c1-16-8-10-19(11-9-16)23-13-12-22(14-17(23)2)15-20(24)21-18-6-4-3-5-7-18/h3-11,17H,12-15H2,1-2H3,(H,21,24)/p+1/t17-/m0/s1