2-(azepan-1-ium-1-yl)-N-(3-bromanyl-4-methyl-phenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(3-bromanyl-4-methyl-phenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(3-bromo-4-methyl-phenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(3-bromo-4-methylphenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(3-bromo-4-methylphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(3-bromo-4-methyl-phenyl)acetamide Formula: C15H22BrN2O+ MolecularWeight: 326.25198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCCC2)Br

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCCCCC2)Br

InChI

InChI=1S/C15H21BrN2O/c1-12-6-7-13(10-14(12)16)17-15(19)11-18-8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,17,19)/p+1