(2S)-N-(5-azanyl-2-methoxy-phenyl)-2-(azepan-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(5-azanyl-2-methoxy-phenyl)-2-(azepan-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(5-amino-2-methoxy-phenyl)-2-(azepan-1-ium-1-yl)propanamide CAS Name: (2S)-N-(5-amino-2-methoxyphenyl)-2-(1-azepan-1-iumyl)propanamide IUPAC Name: (2S)-N-(5-amino-2-methoxyphenyl)-2-(azepan-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(5-amino-2-methoxy-phenyl)-2-(azepan-1-ium-1-yl)propionamide Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/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,3-6,9-10,17H2,1-2H3,(H,18,20)/p+1/t12-/m0/s1