1-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]pyridin-1-ium-3-carboxamide Formula: C18H22N3O2+ MolecularWeight: 312.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)C[N+]2=CC=CC(=C2)C(=O)N

InChI

InChI=1S/C18H21N3O2/c1-12(2)15-8-4-6-13(3)17(15)20-16(22)11-21-9-5-7-14(10-21)18(19)23/h4-10,12H,11H2,1-3H3,(H2-,19,20,22,23)/p+1