2-piperidin-1-ium-1-ylethyl 3,4-dimethoxybenzoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 3,4-dimethoxybenzoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C16H24NO4+ MolecularWeight: 294.36606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC[NH+]2CCCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC[NH+]2CCCCC2)OC

InChI

InChI=1S/C16H23NO4/c1-19-14-7-6-13(12-15(14)20-2)16(18)21-11-10-17-8-4-3-5-9-17/h6-7,12H,3-5,8-11H2,1-2H3/p+1