(2S)-2-(3,4-dimethylphenoxy)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: (2S)-2-(3,4-dimethylphenoxy)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide Openeye Name: (2S)-2-(3,4-dimethylphenoxy)-N-(1-isopropylpiperidin-1-ium-4-yl)propanamide CAS Name: (2S)-2-(3,4-dimethylphenoxy)-N-(1-propan-2-yl-4-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-2-(3,4-dimethylphenoxy)-N-(1-propan-2-ylpiperidin-1-ium-4-yl)propanamide Traditional Name: (2S)-2-(3,4-dimethylphenoxy)-N-(1-isopropylpiperidin-1-ium-4-yl)propionamide Formula: C19H31N2O2+ MolecularWeight: 319.46164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)NC2CC[NH+](CC2)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)O[C@@H](C)C(=O)NC2CC[NH+](CC2)C(C)C)C

InChI

InChI=1S/C19H30N2O2/c1-13(2)21-10-8-17(9-11-21)20-19(22)16(5)23-18-7-6-14(3)15(4)12-18/h6-7,12-13,16-17H,8-11H2,1-5H3,(H,20,22)/p+1/t16-/m0/s1