(2S)-N-(2-azanyl-4-methoxy-phenyl)-2-(azepan-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(2-azanyl-4-methoxy-phenyl)-2-(azepan-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-amino-4-methoxy-phenyl)-2-(azepan-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-amino-4-methoxyphenyl)-2-(1-azepan-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-amino-4-methoxyphenyl)-2-(azepan-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-amino-4-methoxy-phenyl)-2-(azepan-1-ium-1-yl)propionamide Formula: C16H26N3O2+ MolecularWeight: 292.39654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-12(19-9-5-3-4-6-10-19)16(20)18-15-8-7-13(21-2)11-14(15)17/h7-8,11-12H,3-6,9-10,17H2,1-2H3,(H,18,20)/p+1/t12-/m0/s1