2-bromanyl-6-methoxy-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-bromanyl-6-methoxy-4-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]phenol Openeye Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-bromo-6-methoxy-phenol CAS Name: 2-bromo-6-methoxy-4-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]phenol IUPAC Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-bromo-6-methoxyphenol Traditional Name: 4-[(4-benzylpiperidin-1-ium-1-yl)methyl]-2-bromo-6-methoxy-phenol Formula: C20H25BrNO2+ MolecularWeight: 391.322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO2/c1-24-19-13-17(12-18(21)20(19)23)14-22-9-7-16(8-10-22)11-15-5-3-2-4-6-15/h2-6,12-13,16,23H,7-11,14H2,1H3/p+1