ethyl 1-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(3-oxobenzo[f]chromen-1-yl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-oxo-1-benzo[f][1]benzopyranyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-oxobenzo[f]chromen-1-yl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(3-ketobenzo[f]chromen-1-yl)methyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C22H24NO4+ MolecularWeight: 366.43026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23NO4/c1-2-26-22(25)16-9-11-23(12-10-16)14-17-13-20(24)27-19-8-7-15-5-3-4-6-18(15)21(17)19/h3-8,13,16H,2,9-12,14H2,1H3/p+1