3-[2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinolin-1-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinolin-1-yl]propane-1-sulfonate Openeye Name: 3-[2-[(1-methylpyridin-1-ium-2-yl)methylene]-1-quinolyl]propane-1-sulfonate CAS Name: 3-[2-[(1-methyl-2-pyridin-1-iumyl)methylidene]-1-quinolinyl]-1-propanesulfonate IUPAC Name: 3-[2-[(1-methylpyridin-1-ium-2-yl)methylidene]quinolin-1-yl]propane-1-sulfonate Traditional Name: 3-[2-[(1-methylpyridin-1-ium-2-yl)methylene]-1-quinolyl]propane-1-sulfonate Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=C2C=CC3=CC=CC=C3N2CCCS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=CC=C1C=C2C=CC3=CC=CC=C3N2CCCS(=O)(=O)[O-]

InChI

InChI=1S/C19H20N2O3S/c1-20-12-5-4-8-17(20)15-18-11-10-16-7-2-3-9-19(16)21(18)13-6-14-25(22,23)24/h2-5,7-12,15H,6,13-14H2,1H3