2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-phenethylpiperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-6-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-4-ium-1-yl]methyl]phenol Formula: C23H33N2O3+ MolecularWeight: 385.51972

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)CN2CC[NH+](C(C2)CCO)CCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=CC(=C1O)CN2CC[NH+]([C@H](C2)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C23H32N2O3/c1-2-28-22-10-6-9-20(23(22)27)17-24-14-15-25(21(18-24)12-16-26)13-11-19-7-4-3-5-8-19/h3-10,21,26-27H,2,11-18H2,1H3/p+1/t21-/m0/s1