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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3)C4=CC=CS4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=CC(=NN1C2=CC=CC=C2)C3CC3)C4=CC=CS4

InChI

InChI=1S/C21H24N4OS/c1-24(2)19(20-9-6-12-27-20)14-22-21(26)18-13-17(15-10-11-15)23-25(18)16-7-4-3-5-8-16/h3-9,12-13,15,19H,10-11,14H2,1-2H3,(H,22,26)/p+1/t19-/m1/s1