(2R)-2-(azepan-1-ium-1-yl)-N-(3-chloranyl-4-methoxy-phenyl)propanamide

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-(3-chloranyl-4-methoxy-phenyl)propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-(3-chloro-4-methoxy-phenyl)propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-(3-chloro-4-methoxyphenyl)propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-(3-chloro-4-methoxyphenyl)propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-(3-chloro-4-methoxy-phenyl)propionamide Formula: C16H24ClN2O2+ MolecularWeight: 311.82696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)[NH+]2CCCCCC2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)[NH+]2CCCCCC2

InChI

InChI=1S/C16H23ClN2O2/c1-12(19-9-5-3-4-6-10-19)16(20)18-13-7-8-15(21-2)14(17)11-13/h7-8,11-12H,3-6,9-10H2,1-2H3,(H,18,20)/p+1/t12-/m1/s1