3-[3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[3-(3,5-dimethyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[3-(3,5-dimethyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]propyl-dimethyl-ammonium CAS Name: 3-[[3-(3,5-dimethyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-(3,5-dimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propyl-dimethylazanium Traditional Name: 3-[3-(7-keto-3,5-dimethyl-furo[3,2-g]chromen-6-yl)propanoylamino]propyl-dimethyl-ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCCC[NH+](C)C)C

Isomeric SMILES

CC1=COC2=CC3=C(C=C12)C(=C(C(=O)O3)CCC(=O)NCCC[NH+](C)C)C

InChI

InChI=1S/C21H26N2O4/c1-13-12-26-18-11-19-17(10-16(13)18)14(2)15(21(25)27-19)6-7-20(24)22-8-5-9-23(3)4/h10-12H,5-9H2,1-4H3,(H,22,24)/p+1