2-[4-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[oxo-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(1-benzyl-3-pyridin-3-ylpyrazole-4-carbonyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[1-benzyl-3-(3-pyridyl)pyrazole-4-carbonyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C27H33N6O2+ MolecularWeight: 473.58992

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

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