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

Systemtic Name: (E)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-en-1-one CAS Name: (E)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-en-1-one Formula: C26H30N5O2S+ MolecularWeight: 476.6137

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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=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)/C=C/C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2S/c32-24(30-16-14-28(15-17-30)20-25(33)29-12-4-5-13-29)11-10-21-19-31(22-7-2-1-3-8-22)27-26(21)23-9-6-18-34-23/h1-3,6-11,18-19H,4-5,12-17,20H2/p+1/b11-10+