[(1S)-2-[[5-chloranyl-1-(2-methoxycarbonylphenyl)-6-oxidanylidene-pyridazin-4-yl]amino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[5-chloranyl-1-(2-methoxycarbonylphenyl)-6-oxidanylidene-pyridazin-4-yl]amino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[5-chloro-1-(2-methoxycarbonylphenyl)-6-oxo-pyridazin-4-yl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[5-chloro-1-(2-methoxycarbonylphenyl)-6-oxo-4-pyridazinyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[5-chloro-1-(2-methoxycarbonylphenyl)-6-oxopyridazin-4-yl]amino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[1-(2-carbomethoxyphenyl)-5-chloro-6-keto-pyridazin-4-yl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C20H22ClN4O3S+ MolecularWeight: 433.93168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC1=C(C(=O)N(N=C1)C2=CC=CC=C2C(=O)OC)Cl)C3=CC=CS3

Isomeric SMILES

C[NH+](C)[C@@H](CNC1=C(C(=O)N(N=C1)C2=CC=CC=C2C(=O)OC)Cl)C3=CC=CS3

InChI

InChI=1S/C20H21ClN4O3S/c1-24(2)16(17-9-6-10-29-17)12-22-14-11-23-25(19(26)18(14)21)15-8-5-4-7-13(15)20(27)28-3/h4-11,16,22H,12H2,1-3H3/p+1/t16-/m0/s1