(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-ethyl-azanium

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-ethyl-azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-ethyl-ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-ethylammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-ethylazanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-ethyl-ammonium Formula: C22H23ClNO4+ MolecularWeight: 400.87532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1COC2=CC=CC=C2O1)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

Isomeric SMILES

CC[NH+](C[C@H]1COC2=CC=CC=C2O1)CC3=CC(=O)OC4=CC(=C(C=C34)Cl)C

InChI

InChI=1S/C22H22ClNO4/c1-3-24(12-16-13-26-19-6-4-5-7-20(19)27-16)11-15-9-22(25)28-21-8-14(2)18(23)10-17(15)21/h4-10,16H,3,11-13H2,1-2H3/p+1/t16-/m0/s1