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

Systemtic Name: N-(5-azanyl-2-methoxy-phenyl)-2-(azepan-1-ium-1-yl)ethanamide Openeye Name: N-(5-amino-2-methoxy-phenyl)-2-(azepan-1-ium-1-yl)acetamide CAS Name: N-(5-amino-2-methoxyphenyl)-2-(1-azepan-1-iumyl)acetamide IUPAC Name: N-(5-amino-2-methoxyphenyl)-2-(azepan-1-ium-1-yl)acetamide Traditional Name: N-(5-amino-2-methoxy-phenyl)-2-(azepan-1-ium-1-yl)acetamide Formula: C15H24N3O2+ MolecularWeight: 278.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N)NC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

COC1=C(C=C(C=C1)N)NC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C15H23N3O2/c1-20-14-7-6-12(16)10-13(14)17-15(19)11-18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11,16H2,1H3,(H,17,19)/p+1