3-[[(2R)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxidanylidene-chromen-7-yl]oxypropanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2R)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxidanylidene-chromen-7-yl]oxypropanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(2R)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxo-chromen-7-yl]oxypropanoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2R)-2-[[4-(4-methoxyphenyl)-8-methyl-2-oxo-1-benzopyran-7-yl]oxy]-1-oxopropyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2R)-2-[4-(4-methoxyphenyl)-8-methyl-2-oxochromen-7-yl]oxypropanoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2R)-2-[2-keto-4-(4-methoxyphenyl)-8-methyl-chromen-7-yl]oxypropanoyl]amino]propyl-dimethyl-ammonium Formula: C25H31N2O5+ MolecularWeight: 439.52404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)OC(C)C(=O)NCCC[NH+](C)C

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=C(C=C3)OC)O[C@H](C)C(=O)NCCC[NH+](C)C

InChI

InChI=1S/C25H30N2O5/c1-16-22(31-17(2)25(29)26-13-6-14-27(3)4)12-11-20-21(15-23(28)32-24(16)20)18-7-9-19(30-5)10-8-18/h7-12,15,17H,6,13-14H2,1-5H3,(H,26,29)/p+1/t17-/m1/s1