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

Systemtic Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-7-methoxy-4-methyl-thioxanthen-9-one Openeye Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-7-methoxy-4-methyl-thioxanthen-9-one CAS Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-7-methoxy-4-methyl-9-thioxanthenone IUPAC Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-7-methoxy-4-methylthioxanthen-9-one Traditional Name: 7-methoxy-4-methyl-1-(quinolizidin-1-ylmethylamino)thioxanthen-9-one Formula: C25H30N2O2S MolecularWeight: 422.5829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O2S/c1-16-8-10-20(26-15-17-6-5-13-27-12-4-3-7-21(17)27)23-24(28)19-14-18(29-2)9-11-22(19)30-25(16)23/h8-11,14,17,21,26H,3-7,12-13,15H2,1-2H3