5-cyclohexyl-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-amine

Systemtic Name: 5-cyclohexyl-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-amine Openeye Name: 5-cyclohexyl-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-amine CAS Name: 5-cyclohexyl-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-amine IUPAC Name: 5-cyclohexyl-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-amine Traditional Name: [5-cyclohexyl-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-yl]amine Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C(=C(N1)C2CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C[N+]1=C(C(=C(N1)C2CCCCC2)C3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H20N4O2/c1-19-16(17)14(11-7-9-13(10-8-11)20(21)22)15(18-19)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H2,17,18)/p+1