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

Systemtic Name: N-(4-azanyl-2-methoxy-phenyl)-3-(azepan-1-ium-1-yl)propanamide Openeye Name: N-(4-amino-2-methoxy-phenyl)-3-(azepan-1-ium-1-yl)propanamide CAS Name: N-(4-amino-2-methoxyphenyl)-3-(1-azepan-1-iumyl)propanamide IUPAC Name: N-(4-amino-2-methoxyphenyl)-3-(azepan-1-ium-1-yl)propanamide Traditional Name: N-(4-amino-2-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=C(C=CC(=C1)N)NC(=O)CC[NH+]2CCCCCC2

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-21-15-12-13(17)6-7-14(15)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