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

Systemtic Name: ethyl 1-[(6-chloranyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(6-chloro-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-chloro-2-oxo-1-benzopyran-4-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-chloro-2-oxochromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-chloro-2-keto-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C18H21ClNO4+ MolecularWeight: 350.81664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C18H20ClNO4/c1-2-23-18(22)12-5-7-20(8-6-12)11-13-9-17(21)24-16-4-3-14(19)10-15(13)16/h3-4,9-10,12H,2,5-8,11H2,1H3/p+1