dimethyl-[3-[[(2R)-2-(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl)oxypropanoyl]amino]propyl]azanium

Systemtic Name: dimethyl-[3-[[(2R)-2-(7-methyl-2-oxidanylidene-4-propyl-chromen-5-yl)oxypropanoyl]amino]propyl]azanium Openeye Name: dimethyl-[3-[[(2R)-2-(7-methyl-2-oxo-4-propyl-chromen-5-yl)oxypropanoyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[(2R)-2-[(7-methyl-2-oxo-4-propyl-1-benzopyran-5-yl)oxy]-1-oxopropyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[(2R)-2-(7-methyl-2-oxo-4-propylchromen-5-yl)oxypropanoyl]amino]propyl]azanium Traditional Name: 3-[[(2R)-2-(2-keto-7-methyl-4-propyl-chromen-5-yl)oxypropanoyl]amino]propyl-dimethyl-ammonium Formula: C21H31N2O4+ MolecularWeight: 375.48184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)OC(C)C(=O)NCCC[NH+](C)C

Isomeric SMILES

CCCC1=CC(=O)OC2=C1C(=CC(=C2)C)O[C@H](C)C(=O)NCCC[NH+](C)C

InChI

InChI=1S/C21H30N2O4/c1-6-8-16-13-19(24)27-18-12-14(2)11-17(20(16)18)26-15(3)21(25)22-9-7-10-23(4)5/h11-13,15H,6-10H2,1-5H3,(H,22,25)/p+1/t15-/m1/s1