4-(2,5-dimethoxyphenyl)-2-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 4-(2,5-dimethoxyphenyl)-2-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-(2,5-dimethoxyphenyl)-2-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-(2,5-dimethoxyphenyl)-2-[[(2S)-2-(2-hydroxyethyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-(2,5-dimethoxyphenyl)-2-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-(2,5-dimethoxyphenyl)-2-[[(2S)-2-(2-hydroxyethyl)piperidin-1-ium-1-yl]methyl]phenol Formula: C22H30NO4+ MolecularWeight: 372.4779

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC(=C(C=C2)O)C[NH+]3CCCCC3CCO

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=C(C=C2)O)C[NH+]3CCCC[C@H]3CCO

InChI

InChI=1S/C22H29NO4/c1-26-19-7-9-22(27-2)20(14-19)16-6-8-21(25)17(13-16)15-23-11-4-3-5-18(23)10-12-24/h6-9,13-14,18,24-25H,3-5,10-12,15H2,1-2H3/p+1/t18-/m0/s1