(E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Openeye Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1,3-diphenyl-4-pyrazolyl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Traditional Name: (E)-3-(1,3-diphenylpyrazol-4-yl)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]prop-2-en-1-one Formula: C28H32N5O2+ MolecularWeight: 470.58598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H31N5O2/c34-26(32-19-17-30(18-20-32)22-27(35)31-15-7-8-16-31)14-13-24-21-33(25-11-5-2-6-12-25)29-28(24)23-9-3-1-4-10-23/h1-6,9-14,21H,7-8,15-20,22H2/p+1/b14-13+