N-(3-chloranyl-4-methyl-phenyl)-2-[(2S)-2-(methylsulfonylaminomethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[(2S)-2-(methylsulfonylaminomethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[(2S)-2-(methanesulfonamidomethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[(2S)-2-(methanesulfonamidomethyl)piperidin-1-ium-1-yl]acetamide Formula: C16H25ClN3O3S+ MolecularWeight: 374.906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCC2CNS(=O)(=O)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCC[C@H]2CNS(=O)(=O)C)Cl

InChI

InChI=1S/C16H24ClN3O3S/c1-12-6-7-13(9-15(12)17)19-16(21)11-20-8-4-3-5-14(20)10-18-24(2,22)23/h6-7,9,14,18H,3-5,8,10-11H2,1-2H3,(H,19,21)/p+1/t14-/m0/s1