[(1S)-2-[(1,3-diphenylpyrazol-4-yl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(1,3-diphenylpyrazol-4-yl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(1,3-diphenylpyrazole-4-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(1,3-diphenyl-4-pyrazolyl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(1,3-diphenylpyrazole-4-carbonyl)amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(1,3-diphenylpyrazole-4-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C24H25N4OS+ MolecularWeight: 417.5465

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CSC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CN(N=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CSC=C4

InChI

InChI=1S/C24H24N4OS/c1-27(2)22(19-13-14-30-17-19)15-25-24(29)21-16-28(20-11-7-4-8-12-20)26-23(21)18-9-5-3-6-10-18/h3-14,16-17,22H,15H2,1-2H3,(H,25,29)/p+1/t22-/m1/s1