3,6-dihydro-2H-pyridin-1-yl-(3-nitro-4-pyridin-1-ium-2-ylsulfanyl-phenyl)methanone chloride

Systemtic Name: 3,6-dihydro-2H-pyridin-1-yl-(3-nitro-4-pyridin-1-ium-2-ylsulfanyl-phenyl)methanone chloride Openeye Name: 3,6-dihydro-2H-pyridin-1-yl-(3-nitro-4-pyridin-1-ium-2-ylsulfanyl-phenyl)methanone chloride CAS Name: 3,6-dihydro-2H-pyridin-1-yl-[3-nitro-4-(2-pyridin-1-iumylthio)phenyl]methanone chloride IUPAC Name: 3,6-dihydro-2H-pyridin-1-yl-(3-nitro-4-pyridin-1-ium-2-ylsulfanylphenyl)methanone chloride Traditional Name: 3,6-dihydro-2H-pyridin-1-yl-[3-nitro-4-(pyridin-1-ium-2-ylthio)phenyl]methanone chloride Formula: C17H16ClN3O3S MolecularWeight: 377.84524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=[NH+]3)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1CN(CC=C1)C(=O)C2=CC(=C(C=C2)SC3=CC=CC=[NH+]3)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C17H15N3O3S.ClH/c21-17(19-10-4-1-5-11-19)13-7-8-15(14(12-13)20(22)23)24-16-6-2-3-9-18-16;/h1-4,6-9,12H,5,10-11H2;1H