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

Systemtic Name: 1-([1]benzothiepino[5,4-c]pyridazin-10-yl)-2-pyridin-1-ium-1-yl-ethanone Openeye Name: 1-([1]benzothiepino[5,4-c]pyridazin-10-yl)-2-pyridin-1-ium-1-yl-ethanone CAS Name: 1-([1]benzothiepino[5,4-c]pyridazin-10-yl)-2-(1-pyridin-1-iumyl)ethanone IUPAC Name: 1-([1]benzothiepino[5,4-c]pyridazin-10-yl)-2-pyridin-1-ium-1-ylethanone Traditional Name: 1-([1]benzothiepino[5,4-c]pyridazin-10-yl)-2-pyridin-1-ium-1-yl-ethanone Formula: C19H14N3OS+ MolecularWeight: 332.39896

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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

Isomeric SMILES

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

InChI

InChI=1S/C19H14N3OS/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/q+1