[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(2-methylsulfanylethyl)azanium

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(2-methylsulfanylethyl)azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(2-methylsulfanylethyl)ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[2-(methylthio)ethyl]ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(2-methylsulfanylethyl)azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[2-(methylthio)ethyl]ammonium Formula: C15H22N3S+ MolecularWeight: 276.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CCSC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH2+]CCSC)C

InChI

InChI=1S/C15H21N3S/c1-11-4-5-13(8-12(11)2)15-14(10-17-18-15)9-16-6-7-19-3/h4-5,8,10,16H,6-7,9H2,1-3H3,(H,17,18)/p+1