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

Systemtic Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazin-4-ium Openeye Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]-3-piperidyl]piperazin-4-ium CAS Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[[3-(1-pyrazolyl)phenyl]methyl]-3-piperidinyl]piperazin-4-ium IUPAC Name: 1-(2-methoxyphenyl)-4-[(3S)-1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]piperazin-4-ium Traditional Name: 1-(2-methoxyphenyl)-4-[(3S)-1-(3-pyrazol-1-ylbenzyl)-3-piperidyl]piperazin-4-ium Formula: C26H34N5O+ MolecularWeight: 432.58106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=CC(=CC=C4)N5C=CC=N5

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CC(=CC=C4)N5C=CC=N5

InChI

InChI=1S/C26H33N5O/c1-32-26-11-3-2-10-25(26)30-17-15-29(16-18-30)24-9-5-13-28(21-24)20-22-7-4-8-23(19-22)31-14-6-12-27-31/h2-4,6-8,10-12,14,19,24H,5,9,13,15-18,20-21H2,1H3/p+1/t24-/m0/s1