[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-[4-(methylthio)benzyl]ammonium Formula: C21H26N3S+ MolecularWeight: 352.51624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH2+]CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C[NH2+]CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H25N3S/c1-16-21(14-22-13-18-9-11-20(25-3)12-10-18)17(2)24(23-16)15-19-7-5-4-6-8-19/h4-12,22H,13-15H2,1-3H3/p+1