[3-azanyl-2-(1,3-benzodioxol-4-yl)-1-oxidanidyl-pyridin-1-ium-4-yl]-(2-chlorophenyl)methanone

Systemtic Name: [3-azanyl-2-(1,3-benzodioxol-4-yl)-1-oxidanidyl-pyridin-1-ium-4-yl]-(2-chlorophenyl)methanone Openeye Name: [3-amino-2-(1,3-benzodioxol-4-yl)-1-oxido-pyridin-1-ium-4-yl]-(2-chlorophenyl)methanone CAS Name: [3-amino-2-(1,3-benzodioxol-4-yl)-1-oxido-4-pyridin-1-iumyl]-(2-chlorophenyl)methanone IUPAC Name: [3-amino-2-(1,3-benzodioxol-4-yl)-1-oxidopyridin-1-ium-4-yl]-(2-chlorophenyl)methanone Traditional Name: [3-amino-2-(1,3-benzodioxol-4-yl)-1-oxido-pyridin-1-ium-4-yl]-(2-chlorophenyl)methanone Formula: C19H13ClN2O4 MolecularWeight: 368.77052

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=CC=CC(=C2O1)C3=[N+](C=CC(=C3N)C(=O)C4=CC=CC=C4Cl)[O-]

Isomeric SMILES

C1OC2=CC=CC(=C2O1)C3=[N+](C=CC(=C3N)C(=O)C4=CC=CC=C4Cl)[O-]

InChI

InChI=1S/C19H13ClN2O4/c20-14-6-2-1-4-11(14)18(23)12-8-9-22(24)17(16(12)21)13-5-3-7-15-19(13)26-10-25-15/h1-9H,10,21H2