3-piperidin-1-ium-1-ylpropyl 3,4,5-trimethoxybenzoate chloride

Systemtic Name: 3-piperidin-1-ium-1-ylpropyl 3,4,5-trimethoxybenzoate chloride Openeye Name: 3-piperidin-1-ium-1-ylpropyl 3,4,5-trimethoxybenzoate chloride CAS Name: 3,4,5-trimethoxybenzoic acid 3-(1-piperidin-1-iumyl)propyl ester chloride IUPAC Name: 3-piperidin-1-ium-1-ylpropyl 3,4,5-trimethoxybenzoate chloride Traditional Name: 3,4,5-trimethoxybenzoic acid 3-piperidin-1-ium-1-ylpropyl ester chloride Formula: C18H28ClNO5 MolecularWeight: 373.87162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCCC[NH+]2CCCCC2.[Cl-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCCC[NH+]2CCCCC2.[Cl-]

InChI

InChI=1S/C18H27NO5.ClH/c1-21-15-12-14(13-16(22-2)17(15)23-3)18(20)24-11-7-10-19-8-5-4-6-9-19;/h12-13H,4-11H2,1-3H3;1H