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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C=N2)CN3CC[NH+](C(C3)CCO)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C=N2)CN3CC[NH+]([C@H](C3)CCO)C

InChI

InChI=1S/C18H26N4O/c1-15-3-5-17(6-4-15)22-13-16(11-19-22)12-21-9-8-20(2)18(14-21)7-10-23/h3-6,11,13,18,23H,7-10,12,14H2,1-2H3/p+1/t18-/m0/s1