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

Systemtic Name: 4-(2,5-dimethoxyphenyl)-2-[[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-(2,5-dimethoxyphenyl)-2-[[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]phenol CAS Name: 4-(2,5-dimethoxyphenyl)-2-[[(2S)-2-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-(2,5-dimethoxyphenyl)-2-[[(2S)-2-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 4-(2,5-dimethoxyphenyl)-2-[[(2S)-2-methylolpiperidin-1-ium-1-yl]methyl]phenol Formula: C21H28NO4+ MolecularWeight: 358.45132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC(=C(C=C2)O)C[NH+]3CCCCC3CO

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO4/c1-25-18-7-9-21(26-2)19(12-18)15-6-8-20(24)16(11-15)13-22-10-4-3-5-17(22)14-23/h6-9,11-12,17,23-24H,3-5,10,13-14H2,1-2H3/p+1/t17-/m0/s1