2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(3-chloranyl-2-methyl-phenyl)ethanamide

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(3-chloranyl-2-methyl-phenyl)ethanamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methyl-phenyl)acetamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-(3-chloro-2-methylphenyl)acetamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methylphenyl)acetamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(3-chloro-2-methyl-phenyl)acetamide Formula: C17H25ClN3O2+ MolecularWeight: 338.8523

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH+]2CCCCCC2

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)C[NH+]2CCCCCC2

InChI

InChI=1S/C17H24ClN3O2/c1-13-14(18)7-6-8-15(13)20-16(22)11-19-17(23)12-21-9-4-2-3-5-10-21/h6-8H,2-5,9-12H2,1H3,(H,19,23)(H,20,22)/p+1