ethyl 4-[(6-chloranyl-5,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(6-chloranyl-5,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(6-chloro-5,7-dimethyl-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(6-chloro-5,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-chloro-5,7-dimethyl-2-oxochromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(6-chloro-2-keto-5,7-dimethyl-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H24ClN2O4+ MolecularWeight: 379.85786

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C(=C(C(=C3)C)Cl)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C19H23ClN2O4/c1-4-25-19(24)22-7-5-21(6-8-22)11-14-10-16(23)26-15-9-12(2)18(20)13(3)17(14)15/h9-10H,4-8,11H2,1-3H3/p+1