[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (1-benzyl-3-pyridin-3-ylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [1-benzyl-3-(3-pyridyl)pyrazol-4-yl]-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C26H27N6O+ MolecularWeight: 439.53218

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CN(N=C3C4=CN=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N6O/c33-26(31-15-13-30(14-16-31)18-22-8-11-27-12-9-22)24-20-32(19-21-5-2-1-3-6-21)29-25(24)23-7-4-10-28-17-23/h1-12,17,20H,13-16,18-19H2/p+1