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

Systemtic Name: N-(2,5-diphenylpyrazol-3-yl)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanamide Openeye Name: N-(2,5-diphenylpyrazol-3-yl)-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]acetamide CAS Name: N-(2,5-diphenyl-3-pyrazolyl)-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]acetamide IUPAC Name: N-(2,5-diphenylpyrazol-3-yl)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]acetamide Traditional Name: N-(2,5-diphenylpyrazol-3-yl)-2-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]acetamide Formula: C28H35N6O2+ MolecularWeight: 487.6165

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)CC(=O)NC3=CC(=NN3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H34N6O2/c35-27(21-31-16-18-32(19-17-31)22-28(36)33-14-8-3-9-15-33)29-26-20-25(23-10-4-1-5-11-23)30-34(26)24-12-6-2-7-13-24/h1-2,4-7,10-13,20H,3,8-9,14-19,21-22H2,(H,29,35)/p+1