2-(azocan-1-ium-1-yl)-N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-ethanamide

Systemtic Name: 2-(azocan-1-ium-1-yl)-N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-ethanamide Openeye Name: 2-(azocan-1-ium-1-yl)-N-[2-(2,5-dimethylanilino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-(1-azocan-1-iumyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-(azocan-1-ium-1-yl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-(azocan-1-ium-1-yl)-N-[2-(2,5-dimethylanilino)-2-keto-ethyl]-N-methyl-acetamide Formula: C20H32N3O2+ MolecularWeight: 346.48698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CN(C)C(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C20H31N3O2/c1-16-9-10-17(2)18(13-16)21-19(24)14-22(3)20(25)15-23-11-7-5-4-6-8-12-23/h9-10,13H,4-8,11-12,14-15H2,1-3H3,(H,21,24)/p+1