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

Systemtic Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-(o-tolylmethyl)-4-(3-pyridylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(3-pyridinylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(2-methylphenyl)methyl]-4-(pyridin-3-ylmethyl)piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(2-methylbenzyl)-4-(3-pyridylmethyl)piperazin-4-ium-2-yl]ethanol Formula: C20H28N3O+ MolecularWeight: 326.45582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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