(2S)-2-(2-chloranyl-5-methyl-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2S)-2-(2-chloranyl-5-methyl-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-(2-chloro-5-methyl-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)butanamide CAS Name: (2S)-2-(2-chloro-5-methylphenoxy)-N-(1-ethyl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-(2-chloro-5-methylphenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-(2-chloro-5-methyl-phenoxy)-N-(1-ethylpiperidin-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)CC)OC2=C(C=CC(=C2)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O2/c1-4-16(23-17-12-13(3)6-7-15(17)19)18(22)20-14-8-10-21(5-2)11-9-14/h6-7,12,14,16H,4-5,8-11H2,1-3H3,(H,20,22)/p+1/t16-/m0/s1