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

Systemtic Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-(o-tolylmethyl)piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-ethoxybenzyl)-1-(2-methylbenzyl)piperazin-4-ium-2-yl]ethanol Formula: C23H33N2O2+ MolecularWeight: 369.52032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3C

Isomeric SMILES

CCOC1=CC=CC(=C1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3C

InChI

InChI=1S/C23H32N2O2/c1-3-27-23-10-6-8-20(15-23)16-24-12-13-25(22(18-24)11-14-26)17-21-9-5-4-7-19(21)2/h4-10,15,22,26H,3,11-14,16-18H2,1-2H3/p+1/t22-/m0/s1