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

Systemtic Name: ethyl 4-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H22ClN2O4+ MolecularWeight: 365.83128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21ClN2O4/c1-3-24-18(23)21-6-4-20(5-7-21)11-13-9-17(22)25-16-8-12(2)15(19)10-14(13)16/h8-10H,3-7,11H2,1-2H3/p+1