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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C(C)OC2=CC=CC(=C2C)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)[C@H](C)OC2=CC=CC(=C2C)C

InChI

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