[(1S)-2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(5-cyclopropyl-2-phenyl-pyrazol-3-yl)carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(5-cyclopropyl-2-phenyl-pyrazole-3-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(5-cyclopropyl-2-phenyl-3-pyrazolyl)-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(5-cyclopropyl-2-phenylpyrazole-3-carbonyl)amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(5-cyclopropyl-2-phenyl-pyrazole-3-carbonyl)amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3)C4=CSC=C4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3)C4=CSC=C4

InChI

InChI=1S/C21H24N4OS/c1-24(2)20(16-10-11-27-14-16)13-22-21(26)19-12-18(15-8-9-15)23-25(19)17-6-4-3-5-7-17/h3-7,10-12,14-15,20H,8-9,13H2,1-2H3,(H,22,26)/p+1/t20-/m1/s1