(2R)-2-(azepan-1-ium-1-yl)-N-(5-chloranyl-2-methoxy-phenyl)propanamide

Systemtic Name: (2R)-2-(azepan-1-ium-1-yl)-N-(5-chloranyl-2-methoxy-phenyl)propanamide Openeye Name: (2R)-2-(azepan-1-ium-1-yl)-N-(5-chloro-2-methoxy-phenyl)propanamide CAS Name: (2R)-2-(1-azepan-1-iumyl)-N-(5-chloro-2-methoxyphenyl)propanamide IUPAC Name: (2R)-2-(azepan-1-ium-1-yl)-N-(5-chloro-2-methoxyphenyl)propanamide Traditional Name: (2R)-2-(azepan-1-ium-1-yl)-N-(5-chloro-2-methoxy-phenyl)propionamide Formula: C16H24ClN2O2+ MolecularWeight: 311.82696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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