11a-(3,4-dimethoxyphenyl)-8,9-dimethoxy-3-phenylsulfanyl-1,2,3,4,6,11-hexahydrobenzo[b]quinolizine

Systemtic Name: 11a-(3,4-dimethoxyphenyl)-8,9-dimethoxy-3-phenylsulfanyl-1,2,3,4,6,11-hexahydrobenzo[b]quinolizine Openeye Name: 11a-(3,4-dimethoxyphenyl)-8,9-dimethoxy-3-phenylsulfanyl-1,2,3,4,6,11-hexahydrobenzo[b]quinolizine CAS Name: 11a-(3,4-dimethoxyphenyl)-8,9-dimethoxy-3-(phenylthio)-1,2,3,4,6,11-hexahydrobenzo[b]quinolizine IUPAC Name: 11a-(3,4-dimethoxyphenyl)-8,9-dimethoxy-3-phenylsulfanyl-1,2,3,4,6,11-hexahydrobenzo[b]quinolizine Traditional Name: 11a-(3,4-dimethoxyphenyl)-8,9-dimethoxy-3-(phenylthio)-1,2,3,4,6,11-hexahydrobenzo[b]quinolizine Formula: C29H33NO4S MolecularWeight: 491.64162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C23CCC(CN2CC4=CC(=C(C=C4C3)OC)OC)SC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C23CCC(CN2CC4=CC(=C(C=C4C3)OC)OC)SC5=CC=CC=C5)OC

InChI

InChI=1S/C29H33NO4S/c1-31-25-11-10-22(16-28(25)34-4)29-13-12-24(35-23-8-6-5-7-9-23)19-30(29)18-21-15-27(33-3)26(32-2)14-20(21)17-29/h5-11,14-16,24H,12-13,17-19H2,1-4H3