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

Systemtic Name: methyl 1-[(3-oxidanylidenebenzo[f]chromen-1-yl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H22NO4+ MolecularWeight: 352.40368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO4/c1-25-21(24)15-8-10-22(11-9-15)13-16-12-19(23)26-18-7-6-14-4-2-3-5-17(14)20(16)18/h2-7,12,15H,8-11,13H2,1H3/p+1