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

Systemtic Name: ethyl 1-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]piperidin-1-ium-3-carboxylate chloride Openeye Name: ethyl 1-[(6-chloro-4-oxo-chromen-3-yl)methyl]piperidin-1-ium-3-carboxylate chloride CAS Name: 1-[(6-chloro-4-oxo-1-benzopyran-3-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester chloride IUPAC Name: ethyl 1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-1-ium-3-carboxylate chloride Traditional Name: 1-[(6-chloro-4-keto-chromen-3-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester chloride Formula: C18H21Cl2NO4 MolecularWeight: 386.26964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=COC3=C(C2=O)C=C(C=C3)Cl.[Cl-]

Isomeric SMILES

CCOC(=O)C1CCC[NH+](C1)CC2=COC3=C(C2=O)C=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C18H20ClNO4.ClH/c1-2-23-18(22)12-4-3-7-20(9-12)10-13-11-24-16-6-5-14(19)8-15(16)17(13)21;/h5-6,8,11-12H,2-4,7,9-10H2,1H3;1H