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

Systemtic Name: 2-[3-(4,7-dimethyl-2-oxidanylidene-chromen-3-yl)propanoylamino]ethyl-diethyl-azanium Openeye Name: 2-[3-(4,7-dimethyl-2-oxo-chromen-3-yl)propanoylamino]ethyl-diethyl-ammonium CAS Name: 2-[[3-(4,7-dimethyl-2-oxo-1-benzopyran-3-yl)-1-oxopropyl]amino]ethyl-diethylammonium IUPAC Name: 2-[3-(4,7-dimethyl-2-oxochromen-3-yl)propanoylamino]ethyl-diethylazanium Traditional Name: diethyl-[2-[3-(2-keto-4,7-dimethyl-chromen-3-yl)propanoylamino]ethyl]ammonium Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)CCC1=C(C2=C(C=C(C=C2)C)OC1=O)C

Isomeric SMILES

CC[NH+](CC)CCNC(=O)CCC1=C(C2=C(C=C(C=C2)C)OC1=O)C

InChI

InChI=1S/C20H28N2O3/c1-5-22(6-2)12-11-21-19(23)10-9-17-15(4)16-8-7-14(3)13-18(16)25-20(17)24/h7-8,13H,5-6,9-12H2,1-4H3,(H,21,23)/p+1