1-[3-[3-[3-(1-methylpyrazol-4-yl)phenyl]pyrazol-1-yl]propyl]piperidin-1-ium

Systemtic Name: 1-[3-[3-[3-(1-methylpyrazol-4-yl)phenyl]pyrazol-1-yl]propyl]piperidin-1-ium Openeye Name: 1-[3-[3-[3-(1-methylpyrazol-4-yl)phenyl]pyrazol-1-yl]propyl]piperidin-1-ium CAS Name: 1-[3-[3-[3-(1-methyl-4-pyrazolyl)phenyl]-1-pyrazolyl]propyl]piperidin-1-ium IUPAC Name: 1-[3-[3-[3-(1-methylpyrazol-4-yl)phenyl]pyrazol-1-yl]propyl]piperidin-1-ium Traditional Name: 1-[3-[3-[3-(1-methylpyrazol-4-yl)phenyl]pyrazol-1-yl]propyl]piperidin-1-ium Formula: C21H28N5+ MolecularWeight: 350.48052

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=CC(=CC=C2)C3=NN(C=C3)CCC[NH+]4CCCCC4

Isomeric SMILES

CN1C=C(C=N1)C2=CC(=CC=C2)C3=NN(C=C3)CCC[NH+]4CCCCC4

InChI

InChI=1S/C21H27N5/c1-24-17-20(16-22-24)18-7-5-8-19(15-18)21-9-14-26(23-21)13-6-12-25-10-3-2-4-11-25/h5,7-9,14-17H,2-4,6,10-13H2,1H3/p+1