2-piperidin-1-ium-1-ylethyl 4-methoxybenzoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 4-methoxybenzoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C15H22NO3+ MolecularWeight: 264.34008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO3/c1-18-14-7-5-13(6-8-14)15(17)19-12-11-16-9-3-2-4-10-16/h5-8H,2-4,9-12H2,1H3/p+1