2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(p-tolylmethyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-[(4-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-4-[[(3S)-3-(2-hydroxyethyl)-4-(4-methylbenzyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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