1-[(4-pyrazol-1-ylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)N3C=CC=N3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)N3C=CC=N3)C4=CC=CC=[NH+]4

InChI

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