1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-methyl-7-oxidanyl-thioxanthen-9-one

Systemtic Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-methyl-7-oxidanyl-thioxanthen-9-one Openeye Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-7-hydroxy-4-methyl-thioxanthen-9-one CAS Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-7-hydroxy-4-methyl-9-thioxanthenone IUPAC Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-7-hydroxy-4-methylthioxanthen-9-one Traditional Name: 7-hydroxy-4-methyl-1-(quinolizidin-1-ylmethylamino)thioxanthen-9-one Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NCC3CCCN4C3CCCC4)C(=O)C5=C(S2)C=CC(=C5)O

Isomeric SMILES

CC1=C2C(=C(C=C1)NCC3CCCN4C3CCCC4)C(=O)C5=C(S2)C=CC(=C5)O

InChI

InChI=1S/C24H28N2O2S/c1-15-7-9-19(25-14-16-5-4-12-26-11-3-2-6-20(16)26)22-23(28)18-13-17(27)8-10-21(18)29-24(15)22/h7-10,13,16,20,25,27H,2-6,11-12,14H2,1H3