2-piperidin-1-ium-1-ylethyl 8-methoxy-2-oxidanylidene-chromene-3-carboxylate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 8-methoxy-2-oxidanylidene-chromene-3-carboxylate Openeye Name: 2-piperidin-1-ium-1-ylethyl 8-methoxy-2-oxo-chromene-3-carboxylate CAS Name: 8-methoxy-2-oxo-1-benzopyran-3-carboxylic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 8-methoxy-2-oxochromene-3-carboxylate Traditional Name: 2-keto-8-methoxy-chromene-3-carboxylic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C18H22NO5+ MolecularWeight: 332.37098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)OCC[NH+]3CCCCC3

InChI

InChI=1S/C18H21NO5/c1-22-15-7-5-6-13-12-14(18(21)24-16(13)15)17(20)23-11-10-19-8-3-2-4-9-19/h5-7,12H,2-4,8-11H2,1H3/p+1