(1,1-dimethylpiperidin-1-ium-4-yl) 3,4,5-trimethoxybenzoate bromide

Systemtic Name: (1,1-dimethylpiperidin-1-ium-4-yl) 3,4,5-trimethoxybenzoate bromide Openeye Name: (1,1-dimethylpiperidin-1-ium-4-yl) 3,4,5-trimethoxybenzoate bromide CAS Name: 3,4,5-trimethoxybenzoic acid (1,1-dimethyl-4-piperidin-1-iumyl) ester bromide IUPAC Name: (1,1-dimethylpiperidin-1-ium-4-yl) 3,4,5-trimethoxybenzoate bromide Traditional Name: 3,4,5-trimethoxybenzoic acid (1,1-dimethylpiperidin-1-ium-4-yl) ester bromide Formula: C17H26BrNO5 MolecularWeight: 404.29604

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C.[Br-]

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C.[Br-]

InChI

InChI=1S/C17H26NO5.BrH/c1-18(2)8-6-13(7-9-18)23-17(19)12-10-14(20-3)16(22-5)15(11-12)21-4;/h10-11,13H,6-9H2,1-5H3;1H/q+1;/p-1