(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[(1S)-1-(3,4-dipropoxyphenyl)ethyl]azanium Traditional Name: [(1S)-1-(3,4-dipropoxyphenyl)ethyl]-[(2-keto-6,7-dimethyl-chromen-4-yl)methyl]ammonium Formula: C26H34NO4+ MolecularWeight: 424.55246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(C)[NH2+]CC2=CC(=O)OC3=CC(=C(C=C23)C)C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)[C@H](C)[NH2+]CC2=CC(=O)OC3=CC(=C(C=C23)C)C)OCCC

InChI

InChI=1S/C26H33NO4/c1-6-10-29-23-9-8-20(14-25(23)30-11-7-2)19(5)27-16-21-15-26(28)31-24-13-18(4)17(3)12-22(21)24/h8-9,12-15,19,27H,6-7,10-11,16H2,1-5H3/p+1/t19-/m0/s1