(2S)-2-(3-chloranylphenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2S)-2-(3-chloranylphenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)butanamide CAS Name: (2S)-2-(3-chlorophenoxy)-N-(1-ethyl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-(3-chlorophenoxy)-N-(1-ethylpiperidin-1-ium-4-yl)butyramide Formula: C17H26ClN2O2+ MolecularWeight: 325.85354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25ClN2O2/c1-3-16(22-15-7-5-6-13(18)12-15)17(21)19-14-8-10-20(4-2)11-9-14/h5-7,12,14,16H,3-4,8-11H2,1-2H3,(H,19,21)/p+1/t16-/m0/s1