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

Systemtic Name: 3-[2-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxyethanoylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-(3,4-dimethyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[2-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxoethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-(3,4-dimethyl-2-oxochromen-7-yl)oxyacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(2-keto-3,4-dimethyl-chromen-7-yl)oxyacetyl]amino]propyl-dimethyl-ammonium Formula: C18H25N2O4+ MolecularWeight: 333.4021

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N2O4/c1-12-13(2)18(22)24-16-10-14(6-7-15(12)16)23-11-17(21)19-8-5-9-20(3)4/h6-7,10H,5,8-9,11H2,1-4H3,(H,19,21)/p+1