1-methyl-2-phenyl-1-(1H-pyrazol-5-ylmethyl)-4-(pyridin-2-ylmethyl)piperazin-1-ium

Systemtic Name: 1-methyl-2-phenyl-1-(1H-pyrazol-5-ylmethyl)-4-(pyridin-2-ylmethyl)piperazin-1-ium Openeye Name: 1-methyl-2-phenyl-1-(1H-pyrazol-5-ylmethyl)-4-(2-pyridylmethyl)piperazin-1-ium CAS Name: 1-methyl-2-phenyl-1-(1H-pyrazol-5-ylmethyl)-4-(2-pyridinylmethyl)piperazin-1-ium IUPAC Name: 1-methyl-2-phenyl-1-(1H-pyrazol-5-ylmethyl)-4-(pyridin-2-ylmethyl)piperazin-1-ium Traditional Name: 1-methyl-2-phenyl-1-(1H-pyrazol-5-ylmethyl)-4-(2-pyridylmethyl)piperazin-1-ium Formula: C21H26N5+ MolecularWeight: 348.46464

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1C2=CC=CC=C2)CC3=CC=CC=N3)CC4=CC=NN4

Isomeric SMILES

C[N+]1(CCN(CC1C2=CC=CC=C2)CC3=CC=CC=N3)CC4=CC=NN4

InChI

InChI=1S/C21H26N5/c1-26(17-20-10-12-23-24-20)14-13-25(15-19-9-5-6-11-22-19)16-21(26)18-7-3-2-4-8-18/h2-12,21H,13-17H2,1H3,(H,23,24)/q+1