1-phenyl-4-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-phenyl-4-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazin-4-ium Openeye Name: 1-phenyl-4-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]-3-piperidyl]piperazin-4-ium CAS Name: 1-phenyl-4-[(3S)-1-[[4-(1-pyrazolyl)phenyl]methyl]-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-phenyl-4-[(3S)-1-[(4-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazin-4-ium Traditional Name: 1-phenyl-4-[(3S)-1-(4-pyrazol-1-ylbenzyl)-3-piperidyl]piperazin-4-ium Formula: C25H32N5+ MolecularWeight: 402.55508

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC2=CC=C(C=C2)N3C=CC=N3)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)CC2=CC=C(C=C2)N3C=CC=N3)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C25H31N5/c1-2-6-23(7-3-1)28-16-18-29(19-17-28)25-8-4-14-27(21-25)20-22-9-11-24(12-10-22)30-15-5-13-26-30/h1-3,5-7,9-13,15,25H,4,8,14,16-21H2/p+1/t25-/m0/s1