(2S)-2-(4-chloranyl-3-methyl-phenoxy)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2S)-2-(4-chloranyl-3-methyl-phenoxy)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-(4-chloro-3-methyl-phenoxy)-N-(1-isopropylpiperidin-1-ium-4-yl)butanamide CAS Name: (2S)-2-(4-chloro-3-methylphenoxy)-N-(1-propan-2-yl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-(4-chloro-3-methylphenoxy)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-(4-chloro-3-methyl-phenoxy)-N-(1-isopropylpiperidin-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)C(C)C)OC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C19H29ClN2O2/c1-5-18(24-16-6-7-17(20)14(4)12-16)19(23)21-15-8-10-22(11-9-15)13(2)3/h6-7,12-13,15,18H,5,8-11H2,1-4H3,(H,21,23)/p+1/t18-/m0/s1