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

Systemtic Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-[(4-ethoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(3-ethoxyphenyl)methyl]-1-[(4-ethoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(3-ethoxybenzyl)-1-(4-ethoxybenzyl)piperazin-4-ium-2-yl]ethanol Formula: C24H35N2O3+ MolecularWeight: 399.5463

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CC[NH+](CC2CCO)CC3=CC(=CC=C3)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CC[NH+](C[C@@H]2CCO)CC3=CC(=CC=C3)OCC

InChI

InChI=1S/C24H34N2O3/c1-3-28-23-10-8-20(9-11-23)18-26-14-13-25(19-22(26)12-15-27)17-21-6-5-7-24(16-21)29-4-2/h5-11,16,22,27H,3-4,12-15,17-19H2,1-2H3/p+1/t22-/m0/s1