ethyl 4-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C18H23N2O5+ MolecularWeight: 347.38562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3C)O

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=C2C=CC(=C3C)O

InChI

InChI=1S/C18H22N2O5/c1-3-24-18(23)20-8-6-19(7-9-20)11-13-10-16(22)25-17-12(2)15(21)5-4-14(13)17/h4-5,10,21H,3,6-9,11H2,1-2H3/p+1