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

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(3-methylsulfanylpropyl)azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(3-methylsulfanylpropyl)ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[3-(methylthio)propyl]ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-(3-methylsulfanylpropyl)azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-[3-(methylthio)propyl]ammonium Formula: C16H24N3S+ MolecularWeight: 290.44686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3S/c1-12-5-6-14(9-13(12)2)16-15(11-18-19-16)10-17-7-4-8-20-3/h5-6,9,11,17H,4,7-8,10H2,1-3H3,(H,18,19)/p+1