1-methyl-3-[C-methyl-N-(pyridin-4-ylmethyl)carbonimidoyl]-2-oxidanyl-3H-quinolin-1-ium-4-one

Systemtic Name: 1-methyl-3-[C-methyl-N-(pyridin-4-ylmethyl)carbonimidoyl]-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-1-methyl-3-[C-methyl-N-(4-pyridylmethyl)carbonimidoyl]-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-1-methyl-3-[1-(pyridin-4-ylmethylimino)ethyl]-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-1-methyl-3-[C-methyl-N-(pyridin-4-ylmethyl)carbonimidoyl]-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-1-methyl-3-[C-methyl-N-(4-pyridylmethyl)carbonimidoyl]-3H-quinolin-1-ium-4-one Formula: C18H18N3O2+ MolecularWeight: 308.35442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NCC1=CC=NC=C1)C2C(=O)C3=CC=CC=C3[N+](=C2O)C

Isomeric SMILES

CC(=NCC1=CC=NC=C1)C2C(=O)C3=CC=CC=C3[N+](=C2O)C

InChI

InChI=1S/C18H17N3O2/c1-12(20-11-13-7-9-19-10-8-13)16-17(22)14-5-3-4-6-15(14)21(2)18(16)23/h3-10,16H,11H2,1-2H3/p+1