4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)-1-piperidin-1-iumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[4-(hydroxymethyl)-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 2,6-dimethoxy-4-[[4-methylol-4-(3-phenylpropyl)piperidin-1-ium-1-yl]methyl]phenol Formula: C24H34NO4+ MolecularWeight: 400.53106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCC(CC2)(CCCC3=CC=CC=C3)CO

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCC(CC2)(CCCC3=CC=CC=C3)CO

InChI

InChI=1S/C24H33NO4/c1-28-21-15-20(16-22(29-2)23(21)27)17-25-13-11-24(18-26,12-14-25)10-6-9-19-7-4-3-5-8-19/h3-5,7-8,15-16,26-27H,6,9-14,17-18H2,1-2H3/p+1