1-[(3R)-3-(3-methoxy-2-oxidanyl-phenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3R)-3-(3-methoxy-2-oxidanyl-phenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3R)-3-(2-hydroxy-3-methoxy-phenyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(3R)-3-(2-hydroxy-3-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-methyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[(3R)-3-(2-hydroxy-3-methoxyphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(5R)-5-(2-hydroxy-3-methoxy-phenyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-(4-methylpiperazin-1-ium-1-yl)ethanone Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3S/c1-23-8-10-24(11-9-23)14-20(26)25-17(13-16(22-25)19-7-4-12-29-19)15-5-3-6-18(28-2)21(15)27/h3-7,12,17,27H,8-11,13-14H2,1-2H3/p+1/t17-/m1/s1