ethyl 1-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-hydroxy-4-oxo-chromen-3-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-hydroxy-4-oxochromen-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-hydroxy-4-keto-chromen-3-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H22NO5+ MolecularWeight: 332.37098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=C(OC3=CC=CC=C3C2=O)O

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=C(OC3=CC=CC=C3C2=O)O

InChI

InChI=1S/C18H21NO5/c1-2-23-17(21)12-7-9-19(10-8-12)11-14-16(20)13-5-3-4-6-15(13)24-18(14)22/h3-6,12,22H,2,7-11H2,1H3/p+1