2-[(2S)-1-[(4-methylphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(p-tolylmethyl)-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methylbenzyl)-4-(1H-pyrazol-5-ylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC=NN3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=NN3

InChI

InChI=1S/C18H26N4O/c1-15-2-4-16(5-3-15)12-22-10-9-21(14-18(22)7-11-23)13-17-6-8-19-20-17/h2-6,8,18,23H,7,9-14H2,1H3,(H,19,20)/p+1/t18-/m0/s1