2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-methylbenzyl)-4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]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=CN(N=C3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=CN(N=C3C4=CC=CC=C4)C

InChI

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