2-[(2S)-1-[(4-methylphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(p-tolylmethyl)-4-(4-pyridylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-(pyridin-4-ylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(4-methylphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(4-methylbenzyl)-4-(4-pyridylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC=NC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC=NC=C3

InChI

InChI=1S/C20H27N3O/c1-17-2-4-18(5-3-17)15-23-12-11-22(16-20(23)8-13-24)14-19-6-9-21-10-7-19/h2-7,9-10,20,24H,8,11-16H2,1H3/p+1/t20-/m0/s1