[(1S)-2-[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[1-(4-bromophenyl)-5-methylpyrazole-4-carbonyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[1-(4-bromophenyl)-5-methyl-pyrazole-4-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C19H22BrN4OS+ MolecularWeight: 434.37318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NCC(C3=CSC=C3)[NH+](C)C

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)NC[C@H](C3=CSC=C3)[NH+](C)C

InChI

InChI=1S/C19H21BrN4OS/c1-13-17(10-22-24(13)16-6-4-15(20)5-7-16)19(25)21-11-18(23(2)3)14-8-9-26-12-14/h4-10,12,18H,11H2,1-3H3,(H,21,25)/p+1/t18-/m1/s1