[2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylethanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[[2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)sulfanylacetyl]amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)thio]-1-oxoethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetyl]amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[[2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)thio]acetyl]amino]methyl]benzyl]-dimethyl-ammonium Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NCC3=CC=CC=C3C[NH+](C)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)SCC(=O)NCC3=CC=CC=C3C[NH+](C)C

InChI

InChI=1S/C23H28N4OS/c1-17-23(18(2)27(25-17)21-12-6-5-7-13-21)29-16-22(28)24-14-19-10-8-9-11-20(19)15-26(3)4/h5-13H,14-16H2,1-4H3,(H,24,28)/p+1