2-piperidin-1-ium-1-ylethyl 3,4,5-trimethoxybenzoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 3,4,5-trimethoxybenzoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C17H26NO5+ MolecularWeight: 324.39204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCC[NH+]2CCCCC2

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCC[NH+]2CCCCC2

InChI

InChI=1S/C17H25NO5/c1-20-14-11-13(12-15(21-2)16(14)22-3)17(19)23-10-9-18-7-5-4-6-8-18/h11-12H,4-10H2,1-3H3/p+1