[azaniumyl-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]methylidene]azanium

Systemtic Name: [azaniumyl-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]methylidene]azanium Openeye Name: [azaniumyl-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]methylene]ammonium CAS Name: [ammonio-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylthio]methylidene]ammonium IUPAC Name: [azaniumyl-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylsulfanyl]methylidene]azanium Traditional Name: [ammonio-[(3,3-dimethyl-4H-isoquinolin-1-yl)methylthio]methylene]ammonium Formula: C13H19N3S+2 MolecularWeight: 249.37506

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2C(=N1)CSC(=[NH2+])[NH3+])C

Isomeric SMILES

CC1(CC2=CC=CC=C2C(=N1)CSC(=[NH2+])[NH3+])C

InChI

InChI=1S/C13H17N3S/c1-13(2)7-9-5-3-4-6-10(9)11(16-13)8-17-12(14)15/h3-6H,7-8H2,1-2H3,(H3,14,15)/p+2