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

Systemtic Name: ethyl 4-[(6-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(6-hydroxy-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(6-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-hydroxy-2-oxochromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(6-hydroxy-2-keto-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H21N2O5+ MolecularWeight: 333.35904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O5/c1-2-23-17(22)19-7-5-18(6-8-19)11-12-9-16(21)24-15-4-3-13(20)10-14(12)15/h3-4,9-10,20H,2,5-8,11H2,1H3/p+1