ethyl (2R)-1-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]amino]-2-oxo-ethyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]amino]-2-oxoethyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-2-oxoethyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[2-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]amino]-2-keto-ethyl]piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C21H31N2O5+ MolecularWeight: 391.48124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C[NH+]3CCCCC3C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)NC(=O)C[NH+]3CCCC[C@@H]3C(=O)OCC

InChI

InChI=1S/C21H30N2O5/c1-4-26-19-11-15-10-14(3)28-18(15)12-16(19)22-20(24)13-23-9-7-6-8-17(23)21(25)27-5-2/h11-12,14,17H,4-10,13H2,1-3H3,(H,22,24)/p+1/t14-,17+/m0/s1