5-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol

Systemtic Name: 5-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol Openeye Name: 5-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol CAS Name: 5-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-2-methoxyphenol IUPAC Name: 5-[[(3S)-4-[(4-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methoxyphenol Traditional Name: 5-[[(3S)-4-(4-ethoxybenzyl)-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-2-methoxy-phenol Formula: C23H33N2O4+ MolecularWeight: 401.51912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O4/c1-3-29-21-7-4-18(5-8-21)16-25-12-11-24(17-20(25)10-13-26)15-19-6-9-23(28-2)22(27)14-19/h4-9,14,20,26-27H,3,10-13,15-17H2,1-2H3/p+1/t20-/m0/s1