1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(5R)-5-phenyl-2-pyrazolin-1-yl]-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C20H25N5O+2 MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(CC=N2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@H](CC=N2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H23N5O/c26-20(25-18(9-11-22-25)17-6-2-1-3-7-17)16-23-12-14-24(15-13-23)19-8-4-5-10-21-19/h1-8,10-11,18H,9,12-16H2/p+2/t18-/m1/s1