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

Systemtic Name: 2-[(2S)-4-[(4-ethoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Openeye Name: 2-[(2S)-4-[(4-ethoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol CAS Name: 2-[(2S)-4-[(4-ethoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-2-piperazin-4-iumyl]ethanol IUPAC Name: 2-[(2S)-4-[(4-ethoxyphenyl)methyl]-1-[(3-methoxyphenyl)methyl]piperazin-4-ium-2-yl]ethanol Traditional Name: 2-[(2S)-4-(4-ethoxybenzyl)-1-m-anisyl-piperazin-4-ium-2-yl]ethanol Formula: C23H33N2O3+ MolecularWeight: 385.51972

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O3/c1-3-28-22-9-7-19(8-10-22)16-24-12-13-25(21(18-24)11-14-26)17-20-5-4-6-23(15-20)27-2/h4-10,15,21,26H,3,11-14,16-18H2,1-2H3/p+1/t21-/m0/s1