1,3-benzodioxol-5-ylmethyl-[[7-methylsulfanyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[[7-methylsulfanyl-2-oxidanylidene-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[[7-methylsulfanyl-2-oxo-1-(2-pyridylmethyl)-3-quinolyl]methyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[[7-(methylthio)-2-oxo-1-(2-pyridinylmethyl)-3-quinolinyl]methyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[[7-methylsulfanyl-2-oxo-1-(pyridin-2-ylmethyl)quinolin-3-yl]methyl]azanium Traditional Name: [2-keto-7-(methylthio)-1-(2-pyridylmethyl)-3-quinolyl]methyl-piperonyl-ammonium Formula: C25H24N3O3S+ MolecularWeight: 446.54136

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC=CC=N3)C[NH2+]CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CSC1=CC2=C(C=C1)C=C(C(=O)N2CC3=CC=CC=N3)C[NH2+]CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H23N3O3S/c1-32-21-7-6-18-11-19(14-26-13-17-5-8-23-24(10-17)31-16-30-23)25(29)28(22(18)12-21)15-20-4-2-3-9-27-20/h2-12,26H,13-16H2,1H3/p+1