N-(3-azanyl-4-ethyl-phenyl)-2-(azepan-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-azanyl-4-ethyl-phenyl)-2-(azepan-1-ium-1-yl)ethanamide Openeye Name: N-(3-amino-4-ethyl-phenyl)-2-(azepan-1-ium-1-yl)acetamide CAS Name: N-(3-amino-4-ethylphenyl)-2-(1-azepan-1-iumyl)acetamide IUPAC Name: N-(3-amino-4-ethylphenyl)-2-(azepan-1-ium-1-yl)acetamide Traditional Name: N-(3-amino-4-ethyl-phenyl)-2-(azepan-1-ium-1-yl)acetamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCCC2)N

Isomeric SMILES

CCC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCCC2)N

InChI

InChI=1S/C16H25N3O/c1-2-13-7-8-14(11-15(13)17)18-16(20)12-19-9-5-3-4-6-10-19/h7-8,11H,2-6,9-10,12,17H2,1H3,(H,18,20)/p+1