1,1-dimethylpiperidin-1-ium-4-ol; 3,4,5-trimethoxybenzoate; hydrobromide

Systemtic Name: 1,1-dimethylpiperidin-1-ium-4-ol; 3,4,5-trimethoxybenzoate; hydrobromide Openeye Name: 1,1-dimethylpiperidin-1-ium-4-ol; 3,4,5-trimethoxybenzoate; hydrobromide CAS Name: 1,1-dimethyl-4-piperidin-1-iumol; 3,4,5-trimethoxybenzoate; hydrobromide IUPAC Name: 1,1-dimethylpiperidin-1-ium-4-ol; 3,4,5-trimethoxybenzoate; hydrobromide Traditional Name: 1,1-dimethylpiperidin-1-ium-4-ol; 3,4,5-trimethoxybenzoate; hydrobromide Formula: C17H28BrNO6 MolecularWeight: 422.31132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)O)C.COC1=CC(=CC(=C1OC)OC)C(=O)[O-].Br

Isomeric SMILES

C[N+]1(CCC(CC1)O)C.COC1=CC(=CC(=C1OC)OC)C(=O)[O-].Br

InChI

InChI=1S/C10H12O5.C7H16NO.BrH/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3;1-8(2)5-3-7(9)4-6-8;/h4-5H,1-3H3,(H,11,12);7,9H,3-6H2,1-2H3;1H/q;+1;/p-1