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

Systemtic Name: 1-[(4-pyrazol-1-ylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[(4-pyrazol-1-ylphenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[[4-(1-pyrazolyl)phenyl]methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[(4-pyrazol-1-ylphenyl)methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(4-pyrazol-1-ylbenzyl)-4-pyridin-1-ium-2-yl-piperazine Formula: C19H22N5+ MolecularWeight: 320.41148

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)N3C=CC=N3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CC2=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+1