1-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride

Systemtic Name: 1-[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide chloride Openeye Name: 1-[2-(2,6-diethylanilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide chloride CAS Name: 1-[2-(2,6-diethylanilino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide chloride IUPAC Name: 1-[2-(2,6-diethylanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide chloride Traditional Name: 1-[2-(2,6-diethylanilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide chloride Formula: C18H22ClN3O2 MolecularWeight: 347.83918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Cl-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N.[Cl-]

InChI

InChI=1S/C18H21N3O2.ClH/c1-3-13-7-5-8-14(4-2)17(13)20-16(22)12-21-10-6-9-15(11-21)18(19)23;/h5-11H,3-4,12H2,1-2H3,(H2-,19,20,22,23);1H