[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-methylsulfanyl-2-thiophen-2-yl-quinolin-3-yl)methyl]azanium

Systemtic Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-methylsulfanyl-2-thiophen-2-yl-quinolin-3-yl)methyl]azanium Openeye Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[[7-methylsulfanyl-2-(2-thienyl)-3-quinolyl]methyl]ammonium CAS Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[[7-(methylthio)-2-thiophen-2-yl-3-quinolinyl]methyl]ammonium IUPAC Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-methylsulfanyl-2-thiophen-2-ylquinolin-3-yl)methyl]azanium Traditional Name: [(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[[7-(methylthio)-2-(2-thienyl)-3-quinolyl]methyl]ammonium Formula: C24H23N2O2S2+ MolecularWeight: 435.58162

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=NC(=C(C=C2C=C1)C[NH2+]CC3COC4=CC=CC=C4O3)C5=CC=CS5

Isomeric SMILES

CSC1=CC2=NC(=C(C=C2C=C1)C[NH2+]C[C@H]3COC4=CC=CC=C4O3)C5=CC=CS5

InChI

InChI=1S/C24H22N2O2S2/c1-29-19-9-8-16-11-17(24(26-20(16)12-19)23-7-4-10-30-23)13-25-14-18-15-27-21-5-2-3-6-22(21)28-18/h2-12,18,25H,13-15H2,1H3/p+1/t18-/m0/s1