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

Systemtic Name: (2S)-N-(3-chloranyl-2-methyl-phenyl)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-chloro-2-methyl-phenyl)propanamide CAS Name: (2S)-2-(4-acetyl-1-piperazin-1-iumyl)-N-(3-chloro-2-methylphenyl)propanamide IUPAC Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-chloro-2-methylphenyl)propanamide Traditional Name: (2S)-2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-chloro-2-methyl-phenyl)propionamide Formula: C16H23ClN3O2+ MolecularWeight: 324.82572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C(C)[NH+]2CCN(CC2)C(=O)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)[C@H](C)[NH+]2CCN(CC2)C(=O)C

InChI

InChI=1S/C16H22ClN3O2/c1-11-14(17)5-4-6-15(11)18-16(22)12(2)19-7-9-20(10-8-19)13(3)21/h4-6,12H,7-10H2,1-3H3,(H,18,22)/p+1/t12-/m0/s1