ethyl (2R)-1-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[(6-chloranyl-7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(6-chloro-7-ethyl-2-oxo-chromen-4-yl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(6-chloro-7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(6-chloro-7-ethyl-2-oxochromen-4-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[(6-chloro-7-ethyl-2-keto-chromen-4-yl)methyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C20H25ClNO4+ MolecularWeight: 378.8698

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCCC3C(=O)OCC)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCC[C@@H]3C(=O)OCC)Cl

InChI

InChI=1S/C20H24ClNO4/c1-3-13-9-18-15(11-16(13)21)14(10-19(23)26-18)12-22-8-6-5-7-17(22)20(24)25-4-2/h9-11,17H,3-8,12H2,1-2H3/p+1/t17-/m1/s1