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

Systemtic Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-nitro-thioxanthen-9-one Openeye Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-nitro-thioxanthen-9-one CAS Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-nitro-9-thioxanthenone IUPAC Name: 1-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethylamino)-4-nitrothioxanthen-9-one Traditional Name: 4-nitro-1-(quinolizidin-1-ylmethylamino)thioxanthen-9-one Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN2CCCC(C2C1)CNC3=C4C(=C(C=C3)[N+](=O)[O-])SC5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN2CCCC(C2C1)CNC3=C4C(=C(C=C3)[N+](=O)[O-])SC5=CC=CC=C5C4=O

InChI

InChI=1S/C23H25N3O3S/c27-22-16-7-1-2-9-20(16)30-23-19(26(28)29)11-10-17(21(22)23)24-14-15-6-5-13-25-12-4-3-8-18(15)25/h1-2,7,9-11,15,18,24H,3-6,8,12-14H2