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

Systemtic Name: 2-ethoxy-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-ethoxy-phenol CAS Name: 2-ethoxy-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-ethoxyphenol Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-ethoxy-phenol Formula: C21H28NO2+ MolecularWeight: 326.45252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C21H27NO2/c1-2-24-21-15-19(8-9-20(21)23)16-22-12-10-18(11-13-22)14-17-6-4-3-5-7-17/h3-9,15,18,23H,2,10-14,16H2,1H3/p+1