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

Systemtic Name: 5-butyl-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-amine Openeye Name: 5-butyl-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-amine CAS Name: 5-butyl-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-amine IUPAC Name: 5-butyl-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-amine Traditional Name: [5-butyl-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-yl]amine Formula: C14H19N4O2+ MolecularWeight: 275.32626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=[N+](N1)C)N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(C(=[N+](N1)C)N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O2/c1-3-4-5-12-13(14(15)17(2)16-12)10-6-8-11(9-7-10)18(19)20/h6-9H,3-5H2,1-2H3,(H2,15,16)/p+1