N-(2,5-diphenylpyrazol-3-yl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide

Systemtic Name: N-(2,5-diphenylpyrazol-3-yl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: N-(2,5-diphenylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]acetamide CAS Name: N-(2,5-diphenyl-3-pyrazolyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-(2,5-diphenylpyrazol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: N-(2,5-diphenylpyrazol-3-yl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]acetamide Formula: C27H33N6O2+ MolecularWeight: 473.58992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N6O2/c34-26(20-30-15-17-31(18-16-30)21-27(35)32-13-7-8-14-32)28-25-19-24(22-9-3-1-4-10-22)29-33(25)23-11-5-2-6-12-23/h1-6,9-12,19H,7-8,13-18,20-21H2,(H,28,34)/p+1