[(2Z)-4-[1-cyclohexyl-4-(4-methylsulfonylphenyl)pyrazol-1-ium-1-yl]-2-hydroxyimino-butyl] nitrate

Systemtic Name: [(2Z)-4-[1-cyclohexyl-4-(4-methylsulfonylphenyl)pyrazol-1-ium-1-yl]-2-hydroxyimino-butyl] nitrate Openeye Name: [(2Z)-4-[1-cyclohexyl-4-(4-methylsulfonylphenyl)pyrazol-1-ium-1-yl]-2-hydroxyimino-butyl] nitrate CAS Name: nitric acid [(2Z)-4-[1-cyclohexyl-4-(4-methylsulfonylphenyl)-1-pyrazol-1-iumyl]-2-hydroxyiminobutyl] ester IUPAC Name: [(2Z)-4-[1-cyclohexyl-4-(4-methylsulfonylphenyl)pyrazol-1-ium-1-yl]-2-hydroxyiminobutyl] nitrate Traditional Name: nitric acid [(2Z)-4-[1-cyclohexyl-4-(4-mesylphenyl)pyrazol-1-ium-1-yl]-2-hydroximino-butyl] ester Formula: C20H27N4O6S+ MolecularWeight: 451.51658

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C[N+](N=C2)(CCC(=NO)CO[N+](=O)[O-])C3CCCCC3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C[N+](N=C2)(CC/C(=N/O)/CO[N+](=O)[O-])C3CCCCC3

InChI

InChI=1S/C20H26N4O6S/c1-31(28,29)20-9-7-16(8-10-20)17-13-21-24(14-17,19-5-3-2-4-6-19)12-11-18(22-25)15-30-23(26)27/h7-10,13-14,19H,2-6,11-12,15H2,1H3/p+1/b22-18-