1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(1,3-diphenyl-4-pyrazolyl)methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[(1,3-diphenylpyrazol-4-yl)methyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C25H26N5+ MolecularWeight: 396.50744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CCN1CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C25H25N5/c1-3-9-21(10-4-1)25-22(20-30(27-25)23-11-5-2-6-12-23)19-28-15-17-29(18-16-28)24-13-7-8-14-26-24/h1-14,20H,15-19H2/p+1