2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(4-bromanyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(4-bromanyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-bromo-2-methyl-phenyl)acetamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-(4-bromo-2-methylphenyl)acetamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(4-bromo-2-methyl-phenyl)acetamide Formula: C17H25BrN3O2+ MolecularWeight: 383.3033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24BrN3O2/c1-13-10-14(18)6-7-15(13)20-16(22)11-19-17(23)12-21-8-4-2-3-5-9-21/h6-7,10H,2-5,8-9,11-12H2,1H3,(H,19,23)(H,20,22)/p+1