(E)-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-4-ium-1-yl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-4-iumyl]-3-[1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-2-propen-1-one IUPAC Name: (E)-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-4-ium-1-yl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(2-keto-2-piperidino-ethyl)piperazin-4-ium-1-yl]-3-[1-phenyl-3-(3-pyridyl)pyrazol-4-yl]prop-2-en-1-one Formula: C28H33N6O2+ MolecularWeight: 485.60062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H32N6O2/c35-26(33-18-16-31(17-19-33)22-27(36)32-14-5-2-6-15-32)12-11-24-21-34(25-9-3-1-4-10-25)30-28(24)23-8-7-13-29-20-23/h1,3-4,7-13,20-21H,2,5-6,14-19,22H2/p+1/b12-11+