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

Systemtic Name: 3-[3-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)propanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[3-(3-tert-butyl-5-methyl-7-oxo-furo[3,2-g]chromen-6-yl)propanoylamino]propyl-dimethyl-ammonium CAS Name: 3-[[3-(3-tert-butyl-5-methyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxopropyl]amino]propyl-dimethylammonium IUPAC Name: 3-[3-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]propyl-dimethylazanium Traditional Name: 3-[3-(3-tert-butyl-7-keto-5-methyl-furo[3,2-g]chromen-6-yl)propanoylamino]propyl-dimethyl-ammonium Formula: C24H33N2O4+ MolecularWeight: 413.52982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)NCCC[NH+](C)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=C3C(=C2)OC=C3C(C)(C)C)CCC(=O)NCCC[NH+](C)C

InChI

InChI=1S/C24H32N2O4/c1-15-16(8-9-22(27)25-10-7-11-26(5)6)23(28)30-21-13-20-18(12-17(15)21)19(14-29-20)24(2,3)4/h12-14H,7-11H2,1-6H3,(H,25,27)/p+1