methyl 1-[(6-chloranyl-5,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-[(6-chloranyl-5,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-[(6-chloro-5,7-dimethyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-chloro-5,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-[(6-chloro-5,7-dimethyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(6-chloro-2-keto-5,7-dimethyl-chromen-4-yl)methyl]piperidin-1-ium-4-carboxylic acid methyl ester Formula: C19H23ClNO4+ MolecularWeight: 364.84322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)C[NH+]3CCC(CC3)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C(=C1Cl)C)C(=CC(=O)O2)C[NH+]3CCC(CC3)C(=O)OC

InChI

InChI=1S/C19H22ClNO4/c1-11-8-15-17(12(2)18(11)20)14(9-16(22)25-15)10-21-6-4-13(5-7-21)19(23)24-3/h8-9,13H,4-7,10H2,1-3H3/p+1