(2S)-N-(3-chloranyl-4-methyl-phenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-phenyl-ethanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methyl-phenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-chloro-4-methyl-phenyl)-2-phenyl-acetamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(3-chloro-4-methylphenyl)-2-phenylacetamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-chloro-4-methylphenyl)-2-phenylacetamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-chloro-4-methyl-phenyl)-2-phenyl-acetamide Formula: C21H25ClN3O2+ MolecularWeight: 386.8951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2/c1-15-8-9-18(14-19(15)22)23-21(27)20(17-6-4-3-5-7-17)25-12-10-24(11-13-25)16(2)26/h3-9,14,20H,10-13H2,1-2H3,(H,23,27)/p+1/t20-/m0/s1