3-chloranyl-2-(3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)-4,5,6,7-tetrahydroindazole

Systemtic Name: 3-chloranyl-2-(3,5-dimethyl-1-oxidanidyl-pyridin-1-ium-2-yl)-4,5,6,7-tetrahydroindazole Openeye Name: 3-chloro-2-(3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)-4,5,6,7-tetrahydroindazole CAS Name: 3-chloro-2-(3,5-dimethyl-1-oxido-2-pyridin-1-iumyl)-4,5,6,7-tetrahydroindazole IUPAC Name: 3-chloro-2-(3,5-dimethyl-1-oxidopyridin-1-ium-2-yl)-4,5,6,7-tetrahydroindazole Traditional Name: 3-chloro-2-(3,5-dimethyl-1-oxido-pyridin-1-ium-2-yl)-4,5,6,7-tetrahydroindazole Formula: C14H16ClN3O MolecularWeight: 277.74934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C([N+](=C1)[O-])N2C(=C3CCCCC3=N2)Cl)C

Isomeric SMILES

CC1=CC(=C([N+](=C1)[O-])N2C(=C3CCCCC3=N2)Cl)C

InChI

InChI=1S/C14H16ClN3O/c1-9-7-10(2)14(17(19)8-9)18-13(15)11-5-3-4-6-12(11)16-18/h7-8H,3-6H2,1-2H3