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

Systemtic Name: (2S)-2-(2,3-dimethylphenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butanamide Openeye Name: (2S)-2-(2,3-dimethylphenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butanamide CAS Name: (2S)-2-(2,3-dimethylphenoxy)-N-(1-methyl-4-piperidin-1-iumyl)butanamide IUPAC Name: (2S)-2-(2,3-dimethylphenoxy)-N-(1-methylpiperidin-1-ium-4-yl)butanamide Traditional Name: (2S)-2-(2,3-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=CC(=C2C)C

Isomeric SMILES

CC[C@@H](C(=O)NC1CC[NH+](CC1)C)OC2=CC=CC(=C2C)C

InChI

InChI=1S/C18H28N2O2/c1-5-16(22-17-8-6-7-13(2)14(17)3)18(21)19-15-9-11-20(4)12-10-15/h6-8,15-16H,5,9-12H2,1-4H3,(H,19,21)/p+1/t16-/m0/s1