(2S)-2-(4-chloranyl-3-methyl-phenoxy)-N-(1-propylpiperidin-1-ium-4-yl)propanamide

Systemtic Name: (2S)-2-(4-chloranyl-3-methyl-phenoxy)-N-(1-propylpiperidin-1-ium-4-yl)propanamide Openeye Name: (2S)-2-(4-chloro-3-methyl-phenoxy)-N-(1-propylpiperidin-1-ium-4-yl)propanamide CAS Name: (2S)-2-(4-chloro-3-methylphenoxy)-N-(1-propyl-4-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-2-(4-chloro-3-methylphenoxy)-N-(1-propylpiperidin-1-ium-4-yl)propanamide Traditional Name: (2S)-2-(4-chloro-3-methyl-phenoxy)-N-(1-propylpiperidin-1-ium-4-yl)propionamide Formula: C18H28ClN2O2+ MolecularWeight: 339.88012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C(C)OC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)[C@H](C)OC2=CC(=C(C=C2)Cl)C

InChI

InChI=1S/C18H27ClN2O2/c1-4-9-21-10-7-15(8-11-21)20-18(22)14(3)23-16-5-6-17(19)13(2)12-16/h5-6,12,14-15H,4,7-11H2,1-3H3,(H,20,22)/p+1/t14-/m0/s1