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

Systemtic Name: 2-ethoxy-6-[[(3S)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-ethoxy-6-[[(3S)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2-ethoxy-6-[[(3S)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2-ethoxy-6-[[(3S)-4-[(2-ethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2-ethoxy-6-[[(3S)-4-(2-ethoxybenzyl)-3-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C24H35N2O4+ MolecularWeight: 415.5457

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O4/c1-3-29-22-10-6-5-8-19(22)17-26-14-13-25(18-21(26)12-15-27)16-20-9-7-11-23(24(20)28)30-4-2/h5-11,21,27-28H,3-4,12-18H2,1-2H3/p+1/t21-/m0/s1