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

Systemtic Name: 6,7-dimethoxy-1,3-dimethyl-2-(5-propan-2-ylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium Openeye Name: 2-(5-isopropylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)-6,7-dimethoxy-1,3-dimethyl-isoquinolin-2-ium CAS Name: 6,7-dimethoxy-1,3-dimethyl-2-[5-(propan-2-ylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-1,3-dimethyl-2-(5-propan-2-ylsulfanyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium Traditional Name: 2-[5-(isopropylthio)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-6,7-dimethoxy-1,3-dimethyl-isoquinolin-2-ium Formula: C18H22N4O2S MolecularWeight: 358.45788

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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)C)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c1-10(2)25-18-19-17(20-21-18)22-11(3)7-13-8-15(23-5)16(24-6)9-14(13)12(22)4/h7-10H,1-6H3