2-[[4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol

Systemtic Name: 2-[[4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-[[4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)-1-piperidin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-[[4-[(4-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-[[4-(4-chlorobenzyl)-4-methylol-piperidin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C21H27ClNO3+ MolecularWeight: 376.89698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)(CC3=CC=C(C=C3)Cl)CO

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCC(CC2)(CC3=CC=C(C=C3)Cl)CO

InChI

InChI=1S/C21H26ClNO3/c1-26-19-4-2-3-17(20(19)25)14-23-11-9-21(15-24,10-12-23)13-16-5-7-18(22)8-6-16/h2-8,24-25H,9-15H2,1H3/p+1