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

Systemtic Name: N-(2-azanyl-4-methoxy-phenyl)-2-(azepan-1-ium-1-yl)ethanamide Openeye Name: N-(2-amino-4-methoxy-phenyl)-2-(azepan-1-ium-1-yl)acetamide CAS Name: N-(2-amino-4-methoxyphenyl)-2-(1-azepan-1-iumyl)acetamide IUPAC Name: N-(2-amino-4-methoxyphenyl)-2-(azepan-1-ium-1-yl)acetamide Traditional Name: N-(2-amino-4-methoxy-phenyl)-2-(azepan-1-ium-1-yl)acetamide Formula: C15H24N3O2+ MolecularWeight: 278.36996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O2/c1-20-12-6-7-14(13(16)10-12)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