1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(3S)-3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3S)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(5S)-3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Formula: C23H25N4O2S2+ MolecularWeight: 453.6002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CS4)C5=CC=CC=C5O

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](CC(=N2)C3=CC=CS3)C4=CC=CS4)C5=CC=CC=C5O

InChI

InChI=1S/C23H24N4O2S2/c28-20-6-2-1-5-18(20)26-11-9-25(10-12-26)16-23(29)27-19(22-8-4-14-31-22)15-17(24-27)21-7-3-13-30-21/h1-8,13-14,19,28H,9-12,15-16H2/p+1/t19-/m0/s1