methyl 1-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(7-ethyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(7-ethyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(7-ethyl-2-keto-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H24NO4+ MolecularWeight: 330.39816

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H23NO4/c1-3-13-4-5-16-15(11-18(21)24-17(16)10-13)12-20-8-6-14(7-9-20)19(22)23-2/h4-5,10-11,14H,3,6-9,12H2,1-2H3/p+1