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

Systemtic Name: ethyl 4-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(7,8-dimethyl-2-oxo-chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(7,8-dimethyl-2-oxochromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2-keto-7,8-dimethyl-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:

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

Isomeric SMILES

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

InChI

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