ethyl 4-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C20H25N2O4+ MolecularWeight: 357.4235

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=CC4=C(CCC4)C=C23

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)OC3=CC4=C(CCC4)C=C23

InChI

InChI=1S/C20H24N2O4/c1-2-25-20(24)22-8-6-21(7-9-22)13-16-12-19(23)26-18-11-15-5-3-4-14(15)10-17(16)18/h10-12H,2-9,13H2,1H3/p+1