1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidine

Systemtic Name: 1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: 1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidine CAS Name: 1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-4-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: 1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: 1-[[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methyl]-4-pyrrolidin-1-ium-1-yl-piperidine Formula: C25H31N4+ MolecularWeight: 387.54044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CCN(CC2)CC3=C(NN=C3)C4=CC=C(C=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)C2CCN(CC2)CC3=C(NN=C3)C4=CC=C(C=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H30N4/c1-2-6-20(7-3-1)21-8-10-22(11-9-21)25-23(18-26-27-25)19-28-16-12-24(13-17-28)29-14-4-5-15-29/h1-3,6-11,18,24H,4-5,12-17,19H2,(H,26,27)/p+1