N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-cyclopropyl-2-phenylpyrazol-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]acetamide Formula: C24H27N6O3+ MolecularWeight: 447.50958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)NC(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C24H26N6O3/c31-24(17-27-12-14-28(15-13-27)21-8-4-5-9-22(21)30(32)33)25-23-16-20(18-10-11-18)26-29(23)19-6-2-1-3-7-19/h1-9,16,18H,10-15,17H2,(H,25,31)/p+1