1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

Systemtic Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C19H23N5+2 MolecularWeight: 321.41942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(NN=C2)C3=CC=CC=C3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H21N5/c1-2-6-16(7-3-1)19-17(14-21-22-19)15-23-10-12-24(13-11-23)18-8-4-5-9-20-18/h1-9,14H,10-13,15H2,(H,21,22)/p+2