1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-(5-propan-2-ylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium

Systemtic Name: 1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-(5-propan-2-ylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium Openeye Name: 1-(4-fluorophenyl)-2-(5-isopropylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium CAS Name: 1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-[5-(propan-2-ylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]isoquinolin-2-ium IUPAC Name: 1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-(5-propan-2-ylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium Traditional Name: 1-(4-fluorophenyl)-2-[5-(isopropylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-3-methyl-isoquinolin-2-ium Formula: C23H23FN4O2S MolecularWeight: 438.517723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NN=C([N-]3)SC(C)C)C4=CC=C(C=C4)F)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NN=C([N-]3)SC(C)C)C4=CC=C(C=C4)F)OC)OC

InChI

InChI=1S/C23H23FN4O2S/c1-13(2)31-23-25-22(26-27-23)28-14(3)10-16-11-19(29-4)20(30-5)12-18(16)21(28)15-6-8-17(24)9-7-15/h6-13H,1-5H3