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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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