2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-methylbenzyl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]piperazin-4-ium-2-yl]ethanol Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=NNC(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O/c1-15-5-3-4-6-17(15)12-23-9-8-22(14-19(23)7-10-24)13-18-11-16(2)20-21-18/h3-6,11,19,24H,7-10,12-14H2,1-2H3,(H,20,21)/p+1/t19-/m0/s1