2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[2-(azepan-1-ium-1-yl)ethanoylamino]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[[2-(1-azepan-1-iumyl)-1-oxoethyl]amino]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[[2-(azepan-1-ium-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-14-8-7-9-15(2)18(14)20-16(22)12-19-17(23)13-21-10-5-3-4-6-11-21/h7-9H,3-6,10-13H2,1-2H3,(H,19,23)(H,20,22)/p+1