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

Systemtic Name: dimethyl-[3-[2-[4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxyethanoylamino]propyl]azanium Openeye Name: 3-[[2-(3-benzyl-4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[2-[[4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-1-oxoethyl]amino]propyl]ammonium IUPAC Name: 3-[[2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-(3-benzyl-2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]propyl-dimethyl-ammonium Formula: C24H29N2O4+ MolecularWeight: 409.49806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCCC[NH+](C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)NCCC[NH+](C)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H28N2O4/c1-17-20-11-10-19(29-16-23(27)25-12-7-13-26(2)3)15-22(20)30-24(28)21(17)14-18-8-5-4-6-9-18/h4-6,8-11,15H,7,12-14,16H2,1-3H3,(H,25,27)/p+1