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

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(o-tolylmethyl)-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-[3-(1-pyrazolyl)propyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-methylbenzyl)-4-(3-pyrazol-1-ylpropyl)piperazin-4-ium-2-yl]ethanol Formula: C20H31N4O+ MolecularWeight: 343.48634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2CCO)CCCN3C=CC=N3

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CCCN3C=CC=N3

InChI

InChI=1S/C20H30N4O/c1-18-6-2-3-7-19(18)16-23-14-13-22(17-20(23)8-15-25)10-5-12-24-11-4-9-21-24/h2-4,6-7,9,11,20,25H,5,8,10,12-17H2,1H3/p+1/t20-/m0/s1