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

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-methyl-2-pyrazol-1-yl-phenyl)methyl]-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[[5-methyl-2-(1-pyrazolyl)phenyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(5-methyl-2-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-methylbenzyl)-4-(5-methyl-2-pyrazol-1-yl-benzyl)piperazin-4-ium-2-yl]ethanol Formula: C25H33N4O+ MolecularWeight: 405.55572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCN(C(C3)CCO)CC4=CC=CC=C4C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CC=N2)C[NH+]3CCN([C@H](C3)CCO)CC4=CC=CC=C4C

InChI

InChI=1S/C25H32N4O/c1-20-8-9-25(29-12-5-11-26-29)23(16-20)17-27-13-14-28(24(19-27)10-15-30)18-22-7-4-3-6-21(22)2/h3-9,11-12,16,24,30H,10,13-15,17-19H2,1-2H3/p+1/t24-/m0/s1