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

Systemtic Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-methyl-[(1S)-1-thiophen-2-ylethyl]azanium Openeye Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium CAS Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-methyl-[(1S)-1-thiophen-2-ylethyl]ammonium IUPAC Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-methyl-[(1S)-1-thiophen-2-ylethyl]azanium Traditional Name: [5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl-methyl-[(1S)-1-(2-thienyl)ethyl]ammonium Formula: C19H24N3S+ MolecularWeight: 326.47896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+](C)C(C)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=C(C=NN2)C[NH+](C)[C@@H](C)C3=CC=CS3)C

InChI

InChI=1S/C19H23N3S/c1-13-7-8-16(10-14(13)2)19-17(11-20-21-19)12-22(4)15(3)18-6-5-9-23-18/h5-11,15H,12H2,1-4H3,(H,20,21)/p+1/t15-/m0/s1