ethyl (3S)-1-[2-(dibenzofuran-2-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-(dibenzofuran-2-ylamino)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-(dibenzofuran-2-ylamino)-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-(2-dibenzofuranylamino)-2-oxoethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-(dibenzofuran-2-ylamino)-2-oxoethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-(dibenzofuran-2-ylamino)-2-keto-ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C22H25N2O4+ MolecularWeight: 381.4449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=CC3=C(C=C2)OC4=CC=CC=C43

InChI

InChI=1S/C22H24N2O4/c1-2-27-22(26)15-6-5-11-24(13-15)14-21(25)23-16-9-10-20-18(12-16)17-7-3-4-8-19(17)28-20/h3-4,7-10,12,15H,2,5-6,11,13-14H2,1H3,(H,23,25)/p+1/t15-/m0/s1