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

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(2-methyl-4-pyrazol-1-yl-phenyl)methyl]-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[[2-methyl-4-(1-pyrazolyl)phenyl]methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(2-methyl-4-pyrazol-1-ylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-methylbenzyl)-4-(2-methyl-4-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=CC=C1CN2CC[NH+](CC2CCO)CC3=C(C=C(C=C3)N4C=CC=N4)C

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=C(C=C(C=C3)N4C=CC=N4)C

InChI

InChI=1S/C25H32N4O/c1-20-6-3-4-7-22(20)18-28-14-13-27(19-25(28)10-15-30)17-23-8-9-24(16-21(23)2)29-12-5-11-26-29/h3-9,11-12,16,25,30H,10,13-15,17-19H2,1-2H3/p+1/t25-/m0/s1