1-([1]benzothiepino[5,4-c]pyridazin-10-yl)-2-pyridin-1-ium-1-yl-ethanone chloride

Systemtic Name: 1-([1]benzothiepino[5,4-c]pyridazin-10-yl)-2-pyridin-1-ium-1-yl-ethanone chloride Openeye Name: 1-([1]benzothiepino[5,4-c]pyridazin-10-yl)-2-pyridin-1-ium-1-yl-ethanone chloride CAS Name: 1-([1]benzothiepino[5,4-c]pyridazin-10-yl)-2-(1-pyridin-1-iumyl)ethanone chloride IUPAC Name: 1-([1]benzothiepino[5,4-c]pyridazin-10-yl)-2-pyridin-1-ium-1-ylethanone chloride Traditional Name: 1-([1]benzothiepino[5,4-c]pyridazin-10-yl)-2-pyridin-1-ium-1-yl-ethanone chloride Formula: C19H14ClN3OS MolecularWeight: 367.85196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=C2)SC=CC4=C3N=NC=C4.[Cl-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=C2)SC=CC4=C3N=NC=C4.[Cl-]

InChI

InChI=1S/C19H14N3OS.ClH/c23-17(13-22-9-2-1-3-10-22)15-4-5-18-16(12-15)19-14(7-11-24-18)6-8-20-21-19;/h1-12H,13H2;1H/q+1;/p-1