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

Systemtic Name: [(1R)-2-[[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[5-ethyl-1-(p-tolyl)pyrazole-4-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[[5-ethyl-1-(4-methylphenyl)-4-pyrazolyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[5-ethyl-1-(4-methylphenyl)pyrazole-4-carbonyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[5-ethyl-1-(p-tolyl)pyrazole-4-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)NCC(C3=CSC=C3)[NH+](C)C

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)NC[C@@H](C3=CSC=C3)[NH+](C)C

InChI

InChI=1S/C21H26N4OS/c1-5-19-18(12-23-25(19)17-8-6-15(2)7-9-17)21(26)22-13-20(24(3)4)16-10-11-27-14-16/h6-12,14,20H,5,13H2,1-4H3,(H,22,26)/p+1/t20-/m0/s1