2-[[4-(hydroxymethyl)-4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol

Systemtic Name: 2-[[4-(hydroxymethyl)-4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol Openeye Name: 2-[[4-benzyl-4-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-4-methoxy-phenol CAS Name: 2-[[4-(hydroxymethyl)-4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-4-methoxyphenol IUPAC Name: 2-[[4-benzyl-4-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-4-methoxyphenol Traditional Name: 2-[(4-benzyl-4-methylol-piperidin-1-ium-1-yl)methyl]-4-methoxy-phenol Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)CO

Isomeric SMILES

COC1=CC(=C(C=C1)O)C[NH+]2CCC(CC2)(CC3=CC=CC=C3)CO

InChI

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