(2S)-2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)propanamide Openeye Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(p-tolyl)propanamide CAS Name: (2S)-2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)propanamide IUPAC Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-(p-tolyl)propionamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C21H24ClN3O2/c1-15-7-9-17(10-8-15)23-20(26)16(2)24-11-13-25(14-12-24)21(27)18-5-3-4-6-19(18)22/h3-10,16H,11-14H2,1-2H3,(H,23,26)/p+1/t16-/m0/s1