diethyl-[(1S)-2-[(3-methyl-4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-2-yl)carbonylamino]-1-phenyl-ethyl]azanium

Systemtic Name: diethyl-[(1S)-2-[(3-methyl-4-oxidanylidene-6,7-dihydro-5H-1-benzofuran-2-yl)carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: diethyl-[(1S)-2-[(3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-carbonyl)amino]-1-phenyl-ethyl]ammonium CAS Name: diethyl-[(1S)-2-[[(3-methyl-4-oxo-6,7-dihydro-5H-benzofuran-2-yl)-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: diethyl-[(1S)-2-[(3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carbonyl)amino]-1-phenylethyl]azanium Traditional Name: diethyl-[(1S)-2-[(4-keto-3-methyl-6,7-dihydro-5H-benzofuran-2-carbonyl)amino]-1-phenyl-ethyl]ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC(=O)C1=C(C2=C(O1)CCCC2=O)C)C3=CC=CC=C3

Isomeric SMILES

CC[NH+](CC)[C@H](CNC(=O)C1=C(C2=C(O1)CCCC2=O)C)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3/c1-4-24(5-2)17(16-10-7-6-8-11-16)14-23-22(26)21-15(3)20-18(25)12-9-13-19(20)27-21/h6-8,10-11,17H,4-5,9,12-14H2,1-3H3,(H,23,26)/p+1/t17-/m1/s1