(3,4-dimethoxyphenyl)methyl-[(2S)-3-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propyl]azanium

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(2S)-3-(3,4-dimethyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(2S)-3-(3,4-dimethyl-2-oxo-chromen-7-yl)oxy-2-hydroxy-propyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(2S)-3-[(3,4-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-2-hydroxypropyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(2S)-3-(3,4-dimethyl-2-oxochromen-7-yl)oxy-2-hydroxypropyl]azanium Traditional Name: [(2S)-2-hydroxy-3-(2-keto-3,4-dimethyl-chromen-7-yl)oxy-propyl]-veratryl-ammonium Formula: C23H28NO6+ MolecularWeight: 414.47152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(C[NH2+]CC3=CC(=C(C=C3)OC)OC)O)C

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)OC[C@H](C[NH2+]CC3=CC(=C(C=C3)OC)OC)O)C

InChI

InChI=1S/C23H27NO6/c1-14-15(2)23(26)30-21-10-18(6-7-19(14)21)29-13-17(25)12-24-11-16-5-8-20(27-3)22(9-16)28-4/h5-10,17,24-25H,11-13H2,1-4H3/p+1/t17-/m0/s1