6,7-dimethoxy-1,3-dimethyl-2-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)isoquinolin-2-ium

Systemtic Name: 6,7-dimethoxy-1,3-dimethyl-2-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)isoquinolin-2-ium Openeye Name: 2-(3-isopropylsulfanyl-1H-1,2,4-triazol-5-yl)-6,7-dimethoxy-1,3-dimethyl-isoquinolin-2-ium CAS Name: 6,7-dimethoxy-1,3-dimethyl-2-[3-(propan-2-ylthio)-1H-1,2,4-triazol-5-yl]isoquinolin-2-ium IUPAC Name: 6,7-dimethoxy-1,3-dimethyl-2-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)isoquinolin-2-ium Traditional Name: 2-[3-(isopropylthio)-1H-1,2,4-triazol-5-yl]-6,7-dimethoxy-1,3-dimethyl-isoquinolin-2-ium Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC(=NN3)SC(C)C)C)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC(=NN3)SC(C)C)C)OC)OC

InChI

InChI=1S/C18H23N4O2S/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,(H,19,20,21)/q+1