1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone

Systemtic Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Openeye Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone CAS Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-methyl-1-piperazine-1,4-diiumyl)ethanone IUPAC Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Traditional Name: 1-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanone Formula: C23H30N4O2+2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)N2C(CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)N2[C@H](CC(=N2)C3=CC=CC=C3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H28N4O2/c1-25-12-14-26(15-13-25)17-23(28)27-22(19-8-10-20(29-2)11-9-19)16-21(24-27)18-6-4-3-5-7-18/h3-11,22H,12-17H2,1-2H3/p+2/t22-/m1/s1