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

Systemtic Name: ethyl 4-[(6-chloranyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(6-chloro-7-hydroxy-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(6-chloro-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-chloro-7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(6-chloro-7-hydroxy-2-keto-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H20ClN2O5+ MolecularWeight: 367.8041

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=CC(=C(C=C23)Cl)O

InChI

InChI=1S/C17H19ClN2O5/c1-2-24-17(23)20-5-3-19(4-6-20)10-11-7-16(22)25-15-9-14(21)13(18)8-12(11)15/h7-9,21H,2-6,10H2,1H3/p+1