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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl

InChI

InChI=1S/C18H19Cl2NO4/c1-2-24-18(23)11-3-5-21(6-4-11)9-12-10-25-17-14(16(12)22)7-13(19)8-15(17)20/h7-8,10-11H,2-6,9H2,1H3/p+1