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

Systemtic Name: ethyl 4-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(7-ethyl-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(7-ethyl-2-oxochromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(7-ethyl-2-keto-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C19H24N2O4/c1-3-14-5-6-16-15(12-18(22)25-17(16)11-14)13-20-7-9-21(10-8-20)19(23)24-4-2/h5-6,11-12H,3-4,7-10,13H2,1-2H3/p+1