[(1S)-2-[[1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazin-3-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[1-(4-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazin-3-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[1-(4-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[1-(4-chlorophenyl)-6-methyl-4-oxo-3-pyridazinyl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[1-(4-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[1-(4-chlorophenyl)-4-keto-6-methyl-pyridazine-3-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C20H22ClN4O2S+ MolecularWeight: 417.93228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O2S/c1-13-10-18(26)19(23-25(13)16-6-4-15(21)5-7-16)20(27)22-11-17(24(2)3)14-8-9-28-12-14/h4-10,12,17H,11H2,1-3H3,(H,22,27)/p+1/t17-/m1/s1