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

Systemtic Name: 3-[2-(3-tert-butyl-5-methyl-7-oxidanylidene-furo[3,2-g]chromen-6-yl)ethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(3-tert-butyl-5-methyl-7-oxo-furo[3,2-g]chromen-6-yl)acetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-(3-tert-butyl-5-methyl-7-oxo-6-furo[3,2-g][1]benzopyranyl)-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(3-tert-butyl-5-methyl-7-oxofuro[3,2-g]chromen-6-yl)acetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(3-tert-butyl-7-keto-5-methyl-furo[3,2-g]chromen-6-yl)acetyl]amino]propyl-dimethyl-ammonium Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4/c1-14-15-10-17-18(23(2,3)4)13-28-19(17)12-20(15)29-22(27)16(14)11-21(26)24-8-7-9-25(5)6/h10,12-13H,7-9,11H2,1-6H3,(H,24,26)/p+1