dimethyl-[2-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]ethyl]azanium Openeye Name: 2-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]amino]ethyl]ammonium IUPAC Name: 2-[(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C19H23N4OS+ MolecularWeight: 355.47712

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4OS/c1-22(2)11-10-20-19(24)16-14-23(13-15-7-4-3-5-8-15)21-18(16)17-9-6-12-25-17/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,24)/p+1