3-[[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 3-[[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 3-[[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol CAS Name: 3-[[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 3-[[4-(hydroxymethyl)-4-[(4-methoxyphenyl)methyl]piperidin-1-ium-1-yl]methyl]phenol Traditional Name: 3-[(4-methylol-4-p-anisyl-piperidin-1-ium-1-yl)methyl]phenol Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2(CC[NH+](CC2)CC3=CC(=CC=C3)O)CO

Isomeric SMILES

COC1=CC=C(C=C1)CC2(CC[NH+](CC2)CC3=CC(=CC=C3)O)CO

InChI

InChI=1S/C21H27NO3/c1-25-20-7-5-17(6-8-20)14-21(16-23)9-11-22(12-10-21)15-18-3-2-4-19(24)13-18/h2-8,13,23-24H,9-12,14-16H2,1H3/p+1