ethyl 1-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(6-chloro-4-oxo-chromen-3-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-chloro-4-oxo-1-benzopyran-3-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-chloro-4-keto-chromen-3-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=COC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=COC3=C(C2=O)C=C(C=C3)Cl

InChI

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