[4-[[3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[3-(4,7-dimethyl-2-oxo-chromen-3-yl)propanoylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[3-(4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: diethyl-[4-[[3-(2-keto-4,7-dimethyl-chromen-3-yl)propanoylamino]methyl]benzyl]ammonium Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=C(C3=C(C=C(C=C3)C)OC2=O)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=C(C3=C(C=C(C=C3)C)OC2=O)C

InChI

InChI=1S/C26H32N2O3/c1-5-28(6-2)17-21-10-8-20(9-11-21)16-27-25(29)14-13-23-19(4)22-12-7-18(3)15-24(22)31-26(23)30/h7-12,15H,5-6,13-14,16-17H2,1-4H3,(H,27,29)/p+1