(2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-methylphenyl)-2-phenyl-ethanamide

Systemtic Name: (2S)-2-(4-cyclopropylcarbonylpiperazin-1-ium-1-yl)-N-(4-methylphenyl)-2-phenyl-ethanamide Openeye Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-2-phenyl-N-(p-tolyl)acetamide CAS Name: (2S)-2-[4-[cyclopropyl(oxo)methyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-2-phenyl-N-(p-tolyl)acetamide Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C(=O)C4CC4

InChI

InChI=1S/C23H27N3O2/c1-17-7-11-20(12-8-17)24-22(27)21(18-5-3-2-4-6-18)25-13-15-26(16-14-25)23(28)19-9-10-19/h2-8,11-12,19,21H,9-10,13-16H2,1H3,(H,24,27)/p+1/t21-/m0/s1