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

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27ClN2O2/c1-4-17(23-16-7-5-6-14(19)12-16)18(22)20-15-8-10-21(11-9-15)13(2)3/h5-7,12-13,15,17H,4,8-11H2,1-3H3,(H,20,22)/p+1/t17-/m0/s1