(1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (1-phenyl-3-pyridin-3-yl-pyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [1-phenyl-3-(3-pyridinyl)-4-pyrazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [1-phenyl-3-(3-pyridyl)pyrazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C24H23N6O+ MolecularWeight: 411.47902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CN(N=C3C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H22N6O/c31-24(29-15-13-28(14-16-29)22-10-4-5-12-26-22)21-18-30(20-8-2-1-3-9-20)27-23(21)19-7-6-11-25-17-19/h1-12,17-18H,13-16H2/p+1