[(1R)-2-[[1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[[1-(3-chlorophenyl)-5-propan-2-yl-pyrazol-4-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[[1-(3-chlorophenyl)-5-propan-2-yl-4-pyrazolyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[1-(3-chlorophenyl)-5-isopropyl-pyrazole-4-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C21H26ClN4OS+ MolecularWeight: 417.97534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NCC(C3=CSC=C3)[NH+](C)C

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC(=CC=C2)Cl)C(=O)NC[C@@H](C3=CSC=C3)[NH+](C)C

InChI

InChI=1S/C21H25ClN4OS/c1-14(2)20-18(11-24-26(20)17-7-5-6-16(22)10-17)21(27)23-12-19(25(3)4)15-8-9-28-13-15/h5-11,13-14,19H,12H2,1-4H3,(H,23,27)/p+1/t19-/m0/s1