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

Systemtic Name: 1-methyl-3-[C-methyl-N-(2-pyridin-2-ylethyl)carbonimidoyl]-2-oxidanyl-3H-quinolin-1-ium-4-one Openeye Name: 2-hydroxy-1-methyl-3-[C-methyl-N-[2-(2-pyridyl)ethyl]carbonimidoyl]-3H-quinolin-1-ium-4-one CAS Name: 2-hydroxy-1-methyl-3-[1-[2-(2-pyridinyl)ethylimino]ethyl]-3H-quinolin-1-ium-4-one IUPAC Name: 2-hydroxy-1-methyl-3-[C-methyl-N-(2-pyridin-2-ylethyl)carbonimidoyl]-3H-quinolin-1-ium-4-one Traditional Name: 2-hydroxy-1-methyl-3-[C-methyl-N-[2-(2-pyridyl)ethyl]carbonimidoyl]-3H-quinolin-1-ium-4-one Formula: C19H20N3O2+ MolecularWeight: 322.381

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCC1=CC=CC=N1)C2C(=O)C3=CC=CC=C3[N+](=C2O)C

Isomeric SMILES

CC(=NCCC1=CC=CC=N1)C2C(=O)C3=CC=CC=C3[N+](=C2O)C

InChI

InChI=1S/C19H19N3O2/c1-13(20-12-10-14-7-5-6-11-21-14)17-18(23)15-8-3-4-9-16(15)22(2)19(17)24/h3-9,11,17H,10,12H2,1-2H3/p+1