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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NNC(=N1)[N+]2=C(C3=CC(=C(C=C3C=C2C)OC)OC)C

Isomeric SMILES

CCCSC1=NNC(=N1)[N+]2=C(C3=CC(=C(C=C3C=C2C)OC)OC)C

InChI

InChI=1S/C18H23N4O2S/c1-6-7-25-18-19-17(20-21-18)22-11(2)8-13-9-15(23-4)16(24-5)10-14(13)12(22)3/h8-10H,6-7H2,1-5H3,(H,19,20,21)/q+1