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

Systemtic Name: (2S)-N-cyclopropyl-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]-2-phenyl-ethanamide Openeye Name: (2S)-N-cyclopropyl-2-[4-(m-tolyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide CAS Name: (2S)-N-cyclopropyl-2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]-2-phenylacetamide IUPAC Name: (2S)-N-cyclopropyl-2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]-2-phenylacetamide Traditional Name: (2S)-N-cyclopropyl-2-[4-(m-tolyl)piperazin-1-ium-1-yl]-2-phenyl-acetamide Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)C(C3=CC=CC=C3)C(=O)NC4CC4

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)[C@@H](C3=CC=CC=C3)C(=O)NC4CC4

InChI

InChI=1S/C22H27N3O/c1-17-6-5-9-20(16-17)24-12-14-25(15-13-24)21(18-7-3-2-4-8-18)22(26)23-19-10-11-19/h2-9,16,19,21H,10-15H2,1H3,(H,23,26)/p+1/t21-/m0/s1