1-(2-methylphenyl)-4-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazin-4-ium

Systemtic Name: 1-(2-methylphenyl)-4-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazin-4-ium Openeye Name: 1-(o-tolyl)-4-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]-3-piperidyl]piperazin-4-ium CAS Name: 1-(2-methylphenyl)-4-[(3S)-1-[[3-(1-pyrazolyl)phenyl]methyl]-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(2-methylphenyl)-4-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazin-4-ium Traditional Name: 1-(o-tolyl)-4-[(3S)-1-(3-pyrazol-1-ylbenzyl)-3-piperidyl]piperazin-4-ium Formula: C26H34N5+ MolecularWeight: 416.58166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C26H33N5/c1-22-7-2-3-11-26(22)30-17-15-29(16-18-30)25-10-5-13-28(21-25)20-23-8-4-9-24(19-23)31-14-6-12-27-31/h2-4,6-9,11-12,14,19,25H,5,10,13,15-18,20-21H2,1H3/p+1/t25-/m0/s1