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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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