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

Systemtic Name: 2-[(2S)-4-[(4-ethoxyphenyl)methyl]-1-(phenylmethyl)piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-benzyl-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-ethoxyphenyl)methyl]-1-(phenylmethyl)-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-1-benzyl-4-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-benzyl-4-(4-ethoxybenzyl)piperazin-4-ium-2-yl]ethanol Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C[NH+]2CCN(C(C2)CCO)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C[NH+]2CCN([C@H](C2)CCO)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O2/c1-2-26-22-10-8-20(9-11-22)16-23-13-14-24(21(18-23)12-15-25)17-19-6-4-3-5-7-19/h3-11,21,25H,2,12-18H2,1H3/p+1/t21-/m0/s1