8,9-dimethoxy-6-(4-methylsulfonylphenyl)-5-oxidanidyl-1,2,3,4,4a,10b-hexahydrophenanthridin-5-ium

Systemtic Name: 8,9-dimethoxy-6-(4-methylsulfonylphenyl)-5-oxidanidyl-1,2,3,4,4a,10b-hexahydrophenanthridin-5-ium Openeye Name: 8,9-dimethoxy-6-(4-methylsulfonylphenyl)-5-oxido-1,2,3,4,4a,10b-hexahydrophenanthridin-5-ium CAS Name: 8,9-dimethoxy-6-(4-methylsulfonylphenyl)-5-oxido-1,2,3,4,4a,10b-hexahydrophenanthridin-5-ium IUPAC Name: 8,9-dimethoxy-6-(4-methylsulfonylphenyl)-5-oxido-1,2,3,4,4a,10b-hexahydrophenanthridin-5-ium Traditional Name: 6-(4-mesylphenyl)-8,9-dimethoxy-5-oxido-1,2,3,4,4a,10b-hexahydrophenanthridin-5-ium Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3CCCCC3[N+](=C2C4=CC=C(C=C4)S(=O)(=O)C)[O-])OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3CCCCC3[N+](=C2C4=CC=C(C=C4)S(=O)(=O)C)[O-])OC

InChI

InChI=1S/C22H25NO5S/c1-27-20-12-17-16-6-4-5-7-19(16)23(24)22(18(17)13-21(20)28-2)14-8-10-15(11-9-14)29(3,25)26/h8-13,16,19H,4-7H2,1-3H3