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

Systemtic Name: ethyl 1-[(2-oxidanylidene-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g][1]benzopyran-4-yl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(2-keto-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H26NO4+ MolecularWeight: 356.43544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=CC4=C(CCC4)C=C23

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=CC4=C(CCC4)C=C23

InChI

InChI=1S/C21H25NO4/c1-2-25-21(24)14-6-8-22(9-7-14)13-17-12-20(23)26-19-11-16-5-3-4-15(16)10-18(17)19/h10-12,14H,2-9,13H2,1H3/p+1