(2S)-2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2S)-2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-(4-chloro-3,5-dimethyl-phenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butanamide CAS Name: (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(1-methyl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-(4-chloro-3,5-dimethyl-phenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butyramide Formula: C18H28ClN2O2+ MolecularWeight: 339.88012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1CC[NH+](CC1)C)OC2=CC(=C(C(=C2)C)Cl)C

Isomeric SMILES

CC[C@@H](C(=O)NC1CC[NH+](CC1)C)OC2=CC(=C(C(=C2)C)Cl)C

InChI

InChI=1S/C18H27ClN2O2/c1-5-16(18(22)20-14-6-8-21(4)9-7-14)23-15-10-12(2)17(19)13(3)11-15/h10-11,14,16H,5-9H2,1-4H3,(H,20,22)/p+1/t16-/m0/s1