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

Systemtic Name: 5-(2-ethylbutyl)-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-amine Openeye Name: 5-(2-ethylbutyl)-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-amine CAS Name: 5-(2-ethylbutyl)-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-amine IUPAC Name: 5-(2-ethylbutyl)-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-amine Traditional Name: [5-(2-ethylbutyl)-2-methyl-4-(4-nitrophenyl)-1H-pyrazol-2-ium-3-yl]amine Formula: C16H23N4O2+ MolecularWeight: 303.37942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC1=C(C(=[N+](N1)C)N)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)CC1=C(C(=[N+](N1)C)N)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H22N4O2/c1-4-11(5-2)10-14-15(16(17)19(3)18-14)12-6-8-13(9-7-12)20(21)22/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18)/p+1