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

Systemtic Name: ethyl 4-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H25N2O5+ MolecularWeight: 361.4122

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)OCC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)OCC)O

InChI

InChI=1S/C19H24N2O5/c1-3-13-9-15-14(10-18(23)26-17(15)11-16(13)22)12-20-5-7-21(8-6-20)19(24)25-4-2/h9-11,22H,3-8,12H2,1-2H3/p+1