3-[2-[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]oxyethanoylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[2-[4,7-dimethyl-2-oxidanylidene-3-(phenylmethyl)chromen-5-yl]oxyethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(3-benzyl-4,7-dimethyl-2-oxo-chromen-5-yl)oxyacetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[[4,7-dimethyl-2-oxo-3-(phenylmethyl)-1-benzopyran-5-yl]oxy]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(3-benzyl-4,7-dimethyl-2-oxochromen-5-yl)oxyacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(3-benzyl-2-keto-4,7-dimethyl-chromen-5-yl)oxyacetyl]amino]propyl-dimethyl-ammonium Formula: C25H31N2O4+ MolecularWeight: 423.52464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C(=C(C(=O)O2)CC3=CC=CC=C3)C)C(=C1)OCC(=O)NCCC[NH+](C)C

InChI

InChI=1S/C25H30N2O4/c1-17-13-21(30-16-23(28)26-11-8-12-27(3)4)24-18(2)20(25(29)31-22(24)14-17)15-19-9-6-5-7-10-19/h5-7,9-10,13-14H,8,11-12,15-16H2,1-4H3,(H,26,28)/p+1