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

Systemtic Name: 2-[[(3S)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-[[(3S)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[(3S)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-[[(3S)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-[[(3S)-4-(2-ethoxybenzyl)-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C23H33N2O4+ MolecularWeight: 401.51912

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CN2CC[NH+](CC2CCO)CC3=C(C(=CC=C3)OC)O

Isomeric SMILES

CCOC1=CC=CC=C1CN2CC[NH+](C[C@@H]2CCO)CC3=C(C(=CC=C3)OC)O

InChI

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