[(2S)-3-(4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propyl]-phenethyl-azanium

Systemtic Name: [(2S)-3-(4,8-dimethyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanyl-propyl]-phenethyl-azanium Openeye Name: [(2S)-3-(4,8-dimethyl-2-oxo-chromen-7-yl)oxy-2-hydroxy-propyl]-phenethyl-ammonium CAS Name: [(2S)-3-[(4,8-dimethyl-2-oxo-1-benzopyran-7-yl)oxy]-2-hydroxypropyl]-phenethylammonium IUPAC Name: [(2S)-3-(4,8-dimethyl-2-oxochromen-7-yl)oxy-2-hydroxypropyl]-phenethylazanium Traditional Name: [(2S)-2-hydroxy-3-(2-keto-4,8-dimethyl-chromen-7-yl)oxy-propyl]-phenethyl-ammonium Formula: C22H26NO4+ MolecularWeight: 368.44614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C)OCC(C[NH2+]CCC3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C)OC[C@H](C[NH2+]CCC3=CC=CC=C3)O

InChI

InChI=1S/C22H25NO4/c1-15-12-21(25)27-22-16(2)20(9-8-19(15)22)26-14-18(24)13-23-11-10-17-6-4-3-5-7-17/h3-9,12,18,23-24H,10-11,13-14H2,1-2H3/p+1/t18-/m0/s1