1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium

Systemtic Name: 1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Openeye Name: 1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium CAS Name: 1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium IUPAC Name: 1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Traditional Name: 1-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-4-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]piperazin-4-ium Formula: C25H30N6+2 MolecularWeight: 414.5459

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC=C1)CN2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C[N+]1=C(NC=C1)CN2CC[NH+](CC2)CC3=C(NN=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H28N6/c1-29-12-11-26-24(29)19-31-15-13-30(14-16-31)18-23-17-27-28-25(23)22-9-7-21(8-10-22)20-5-3-2-4-6-20/h2-12,17H,13-16,18-19H2,1H3,(H,27,28)/p+2