2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]ethanamide

Systemtic Name: 2-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]ethanamide Openeye Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide CAS Name: 2-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[(1S)-1-phenylethyl]acetamide IUPAC Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide Traditional Name: 2-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]-N-[(1S)-1-phenylethyl]acetamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2/c1-16(17-7-3-2-4-8-17)23-20(26)15-24-11-13-25(14-12-24)21(27)18-9-5-6-10-19(18)22/h2-10,16H,11-15H2,1H3,(H,23,26)/p+1/t16-/m0/s1