2-methyl-3-[[methyl(2-pyridin-4-ylethyl)azaniumyl]methyl]-4-oxidanylidene-1H-quinoline-6-carboxylate

Systemtic Name: 2-methyl-3-[[methyl(2-pyridin-4-ylethyl)azaniumyl]methyl]-4-oxidanylidene-1H-quinoline-6-carboxylate Openeye Name: 2-methyl-3-[[methyl-[2-(4-pyridyl)ethyl]ammonio]methyl]-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-methyl-3-[[methyl(2-pyridin-4-ylethyl)ammonio]methyl]-4-oxo-1H-quinoline-6-carboxylate IUPAC Name: 2-methyl-3-[[methyl(2-pyridin-4-ylethyl)azaniumyl]methyl]-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 4-keto-2-methyl-3-[[methyl-[2-(4-pyridyl)ethyl]ammonio]methyl]-1H-quinoline-6-carboxylate Formula: C20H21N3O3 MolecularWeight: 351.39904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)[O-])C[NH+](C)CCC3=CC=NC=C3

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)C(=O)[O-])C[NH+](C)CCC3=CC=NC=C3

InChI

InChI=1S/C20H21N3O3/c1-13-17(12-23(2)10-7-14-5-8-21-9-6-14)19(24)16-11-15(20(25)26)3-4-18(16)22-13/h3-6,8-9,11H,7,10,12H2,1-2H3,(H,22,24)(H,25,26)