8-[(S)-(3,4-dimethoxyphenyl)-morpholin-4-ium-4-yl-methyl]-4-methyl-7-oxidanyl-benzo[h]chromen-2-one

Systemtic Name: 8-[(S)-(3,4-dimethoxyphenyl)-morpholin-4-ium-4-yl-methyl]-4-methyl-7-oxidanyl-benzo[h]chromen-2-one Openeye Name: 8-[(S)-(3,4-dimethoxyphenyl)-morpholin-4-ium-4-yl-methyl]-7-hydroxy-4-methyl-benzo[h]chromen-2-one CAS Name: 8-[(S)-(3,4-dimethoxyphenyl)-(4-morpholin-4-iumyl)methyl]-7-hydroxy-4-methyl-2-benzo[h][1]benzopyranone IUPAC Name: 8-[(S)-(3,4-dimethoxyphenyl)-morpholin-4-ium-4-ylmethyl]-7-hydroxy-4-methylbenzo[h]chromen-2-one Traditional Name: 8-[(S)-(3,4-dimethoxyphenyl)-morpholin-4-ium-4-yl-methyl]-7-hydroxy-4-methyl-benzo[h]chromen-2-one Formula: C27H28NO6+ MolecularWeight: 462.51432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC3=C2C=CC(=C3O)C(C4=CC(=C(C=C4)OC)OC)[NH+]5CCOCC5

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC3=C2C=CC(=C3O)[C@H](C4=CC(=C(C=C4)OC)OC)[NH+]5CCOCC5

InChI

InChI=1S/C27H27NO6/c1-16-14-24(29)34-27-18(16)5-6-19-20(27)7-8-21(26(19)30)25(28-10-12-33-13-11-28)17-4-9-22(31-2)23(15-17)32-3/h4-9,14-15,25,30H,10-13H2,1-3H3/p+1/t25-/m0/s1