2-(3,4-dimethoxyphenyl)ethyl-methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]azanium Traditional Name: homoveratryl-methyl-[(4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]ammonium Formula: C15H23N4O2S+ MolecularWeight: 323.43372

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN(C1=S)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CN1C=NN(C1=S)C[NH+](C)CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C15H22N4O2S/c1-17(11-19-15(22)18(2)10-16-19)8-7-12-5-6-13(20-3)14(9-12)21-4/h5-6,9-10H,7-8,11H2,1-4H3/p+1