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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23NO4/c1-2-26-22(25)16-7-5-11-23(13-16)14-17-12-20(24)27-19-10-9-15-6-3-4-8-18(15)21(17)19/h3-4,6,8-10,12,16H,2,5,7,11,13-14H2,1H3/p+1/t16-/m0/s1