(2S)-2-(3,4-dimethylphenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butanamide

Systemtic Name: (2S)-2-(3,4-dimethylphenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-(3,4-dimethylphenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butanamide CAS Name: (2S)-2-(3,4-dimethylphenoxy)-N-(1-methyl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-(3,4-dimethylphenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-(3,4-dimethylphenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butyramide Formula: C18H29N2O2+ MolecularWeight: 305.43506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O2/c1-5-17(22-16-7-6-13(2)14(3)12-16)18(21)19-15-8-10-20(4)11-9-15/h6-7,12,15,17H,5,8-11H2,1-4H3,(H,19,21)/p+1/t17-/m0/s1