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

Systemtic Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(p-tolylmethyl)-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[[4-(1-pyrazolyl)phenyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methylbenzyl)-4-(4-pyrazol-1-ylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C24H31N4O+ MolecularWeight: 391.52914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C24H30N4O/c1-20-3-5-22(6-4-20)18-27-15-14-26(19-24(27)11-16-29)17-21-7-9-23(10-8-21)28-13-2-12-25-28/h2-10,12-13,24,29H,11,14-19H2,1H3/p+1/t24-/m0/s1