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

Systemtic Name: (2S)-2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-(4-chloro-3,5-dimethyl-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)butanamide CAS Name: (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethyl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-(4-chloro-3,5-dimethylphenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-(4-chloro-3,5-dimethyl-phenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)butyramide Formula: C19H30ClN2O2+ MolecularWeight: 353.9067

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN2O2/c1-5-17(24-16-11-13(3)18(20)14(4)12-16)19(23)21-15-7-9-22(6-2)10-8-15/h11-12,15,17H,5-10H2,1-4H3,(H,21,23)/p+1/t17-/m0/s1