ethyl 1-[(6-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(6-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(6-ethyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-ethyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-ethyl-2-keto-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C20H26NO4+ MolecularWeight: 344.42474

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=O)C=C2C[NH+]3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C20H25NO4/c1-3-14-5-6-18-17(11-14)16(12-19(22)25-18)13-21-9-7-15(8-10-21)20(23)24-4-2/h5-6,11-12,15H,3-4,7-10,13H2,1-2H3/p+1