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

Systemtic Name: N-(2-azanyl-4-methoxy-phenyl)-3-(azepan-1-ium-1-yl)propanamide Openeye Name: N-(2-amino-4-methoxy-phenyl)-3-(azepan-1-ium-1-yl)propanamide CAS Name: N-(2-amino-4-methoxyphenyl)-3-(1-azepan-1-iumyl)propanamide IUPAC Name: N-(2-amino-4-methoxyphenyl)-3-(azepan-1-ium-1-yl)propanamide Traditional Name: N-(2-amino-4-methoxy-phenyl)-3-(azepan-1-ium-1-yl)propionamide Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-21-13-6-7-15(14(17)12-13)18-16(20)8-11-19-9-4-2-3-5-10-19/h6-7,12H,2-5,8-11,17H2,1H3,(H,18,20)/p+1