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

Systemtic Name: 1-[(3S)-3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3S)-3-(2-hydroxyphenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(3S)-3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-methyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-(2-hydroxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(5S)-5-(2-hydroxyphenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone Formula: C20H25N4O2S+ MolecularWeight: 385.5031

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(=O)N2C(CC(=N2)C3=CC=CS3)C4=CC=CC=C4O

Isomeric SMILES

CN1CC[NH+](CC1)CC(=O)N2[C@@H](CC(=N2)C3=CC=CS3)C4=CC=CC=C4O

InChI

InChI=1S/C20H24N4O2S/c1-22-8-10-23(11-9-22)14-20(26)24-17(15-5-2-3-6-18(15)25)13-16(21-24)19-7-4-12-27-19/h2-7,12,17,25H,8-11,13-14H2,1H3/p+1/t17-/m0/s1