[(1R)-3-(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)-3-oxidanylidene-1-thiophen-2-yl-propyl]-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(1R)-3-(1-methyl-2-oxidanyl-4-oxidanylidene-quinolin-3-yl)-3-oxidanylidene-1-thiophen-2-yl-propyl]-(pyridin-4-ylmethyl)azanium Openeye Name: [(1R)-3-(2-hydroxy-1-methyl-4-oxo-3-quinolyl)-3-oxo-1-(2-thienyl)propyl]-(4-pyridylmethyl)ammonium CAS Name: [(1R)-3-(2-hydroxy-1-methyl-4-oxo-3-quinolinyl)-3-oxo-1-thiophen-2-ylpropyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(1R)-3-(2-hydroxy-1-methyl-4-oxoquinolin-3-yl)-3-oxo-1-thiophen-2-ylpropyl]-(pyridin-4-ylmethyl)azanium Traditional Name: [(1R)-3-(2-hydroxy-4-keto-1-methyl-3-quinolyl)-3-keto-1-(2-thienyl)propyl]-(4-pyridylmethyl)ammonium Formula: C23H22N3O3S+ MolecularWeight: 420.50408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)CC(C3=CC=CS3)[NH2+]CC4=CC=NC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)C[C@H](C3=CC=CS3)[NH2+]CC4=CC=NC=C4

InChI

InChI=1S/C23H21N3O3S/c1-26-18-6-3-2-5-16(18)22(28)21(23(26)29)19(27)13-17(20-7-4-12-30-20)25-14-15-8-10-24-11-9-15/h2-12,17,25,29H,13-14H2,1H3/p+1/t17-/m1/s1