(1-methyl-1-phenethyl-piperidin-1-ium-4-yl) 3,4,5-trimethoxybenzoate bromide

Systemtic Name: (1-methyl-1-phenethyl-piperidin-1-ium-4-yl) 3,4,5-trimethoxybenzoate bromide Openeye Name: (1-methyl-1-phenethyl-piperidin-1-ium-4-yl) 3,4,5-trimethoxybenzoate bromide CAS Name: 3,4,5-trimethoxybenzoic acid (1-methyl-1-phenethyl-4-piperidin-1-iumyl) ester bromide IUPAC Name: (1-methyl-1-phenethylpiperidin-1-ium-4-yl) 3,4,5-trimethoxybenzoate bromide Traditional Name: 3,4,5-trimethoxybenzoic acid (1-methyl-1-phenethyl-piperidin-1-ium-4-yl) ester bromide Formula: C24H32BrNO5 MolecularWeight: 494.41858

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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)CCC3=CC=CC=C3.[Br-]

Isomeric SMILES

C[N+]1(CCC(CC1)OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)CCC3=CC=CC=C3.[Br-]

InChI

InChI=1S/C24H32NO5.BrH/c1-25(13-10-18-8-6-5-7-9-18)14-11-20(12-15-25)30-24(26)19-16-21(27-2)23(29-4)22(17-19)28-3;/h5-9,16-17,20H,10-15H2,1-4H3;1H/q+1;/p-1