ethyl (3S)-1-[[6,8-bis(chloranyl)-4-oxidanylidene-chromen-3-yl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[[6,8-bis(chloranyl)-4-oxidanylidene-chromen-3-yl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[(6,8-dichloro-4-oxo-chromen-3-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(6,8-dichloro-4-oxo-1-benzopyran-3-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(6,8-dichloro-4-oxochromen-3-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[(6,8-dichloro-4-keto-chromen-3-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H20Cl2NO4+ MolecularWeight: 385.2617

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl

InChI

InChI=1S/C18H19Cl2NO4/c1-2-24-18(23)11-4-3-5-21(8-11)9-12-10-25-17-14(16(12)22)6-13(19)7-15(17)20/h6-7,10-11H,2-5,8-9H2,1H3/p+1/t11-/m0/s1