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

Systemtic Name: (E)-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-1-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]-1-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]prop-2-en-1-one Formula: C26H32N5OS+ MolecularWeight: 462.63018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)C=CC3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)/C=C/C3=CN(N=C3C4=CC=CS4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N5OS/c32-25(30-18-16-29(17-19-30)15-14-28-12-4-5-13-28)11-10-22-21-31(23-7-2-1-3-8-23)27-26(22)24-9-6-20-33-24/h1-3,6-11,20-21H,4-5,12-19H2/p+1/b11-10+