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

Systemtic Name: 3,6-dihydro-2H-pyridin-1-yl-(3-nitro-4-pyridin-1-ium-2-ylsulfanyl-phenyl)methanone Openeye Name: 3,6-dihydro-2H-pyridin-1-yl-(3-nitro-4-pyridin-1-ium-2-ylsulfanyl-phenyl)methanone CAS Name: 3,6-dihydro-2H-pyridin-1-yl-[3-nitro-4-(2-pyridin-1-iumylthio)phenyl]methanone IUPAC Name: 3,6-dihydro-2H-pyridin-1-yl-(3-nitro-4-pyridin-1-ium-2-ylsulfanylphenyl)methanone Traditional Name: 3,6-dihydro-2H-pyridin-1-yl-[3-nitro-4-(pyridin-1-ium-2-ylthio)phenyl]methanone Formula: C17H16N3O3S+ MolecularWeight: 342.39224

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/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/p+1