[4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium

Systemtic Name: [4,5-bis(chloranyl)-6-oxidanylidene-pyridazin-1-yl]methyl-[(5-methylthiophen-2-yl)methyl]-phenethyl-azanium Openeye Name: (4,5-dichloro-6-oxo-pyridazin-1-yl)methyl-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium CAS Name: (4,5-dichloro-6-oxo-1-pyridazinyl)methyl-[(5-methyl-2-thiophenyl)methyl]-phenethylammonium IUPAC Name: (4,5-dichloro-6-oxopyridazin-1-yl)methyl-[(5-methylthiophen-2-yl)methyl]-phenethylazanium Traditional Name: (4,5-dichloro-6-keto-pyridazin-1-yl)methyl-[(5-methyl-2-thienyl)methyl]-phenethyl-ammonium Formula: C19H20Cl2N3OS+ MolecularWeight: 409.3526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CN3C(=O)C(=C(C=N3)Cl)Cl

Isomeric SMILES

CC1=CC=C(S1)C[NH+](CCC2=CC=CC=C2)CN3C(=O)C(=C(C=N3)Cl)Cl

InChI

InChI=1S/C19H19Cl2N3OS/c1-14-7-8-16(26-14)12-23(10-9-15-5-3-2-4-6-15)13-24-19(25)18(21)17(20)11-22-24/h2-8,11H,9-10,12-13H2,1H3/p+1