1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]-4-(4-pyridin-1-ium-2-ylpiperazino)butane-1,4-dione Formula: C29H32N5O3+ MolecularWeight: 498.59608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N5O3/c1-37-24-12-10-23(11-13-24)26-21-25(22-7-3-2-4-8-22)31-34(26)29(36)15-14-28(35)33-19-17-32(18-20-33)27-9-5-6-16-30-27/h2-13,16,26H,14-15,17-21H2,1H3/p+1/t26-/m1/s1