diethyl-[[4-[[(4-oxidanylidenechromen-2-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[4-[[(4-oxidanylidenechromen-2-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[4-[[(4-oxochromene-2-carbonyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[4-[[[oxo-(4-oxo-1-benzopyran-2-yl)methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[4-[[(4-oxochromene-2-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[4-[[(4-ketochromene-2-carbonyl)amino]methyl]benzyl]ammonium Formula: C22H25N2O3+ MolecularWeight: 365.4455

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CC(=O)C3=CC=CC=C3O2

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)C2=CC(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C22H24N2O3/c1-3-24(4-2)15-17-11-9-16(10-12-17)14-23-22(26)21-13-19(25)18-7-5-6-8-20(18)27-21/h5-13H,3-4,14-15H2,1-2H3,(H,23,26)/p+1