ethyl (2R)-1-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(6-chloranyl-4-oxidanylidene-chromen-3-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(6-chloro-4-oxo-chromen-3-yl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(6-chloro-4-oxo-1-benzopyran-3-yl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(6-chloro-4-oxochromen-3-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(6-chloro-4-keto-chromen-3-yl)methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C18H21ClNO4+ MolecularWeight: 350.81664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=COC3=C(C2=O)C=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=COC3=C(C2=O)C=C(C=C3)Cl

InChI

InChI=1S/C18H20ClNO4/c1-2-23-18(22)15-5-3-4-8-20(15)10-12-11-24-16-7-6-13(19)9-14(16)17(12)21/h6-7,9,11,15H,2-5,8,10H2,1H3/p+1/t15-/m1/s1