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

Systemtic Name: 2,6-dimethoxy-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2,6-dimethoxy-phenol CAS Name: 2,6-dimethoxy-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2,6-dimethoxyphenol Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2,6-dimethoxy-phenol Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO3/c1-24-19-13-18(14-20(25-2)21(19)23)15-22-10-8-17(9-11-22)12-16-6-4-3-5-7-16/h3-7,13-14,17,23H,8-12,15H2,1-2H3/p+1