2-[(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)amino]-1-phenothiazin-10-yl-ethanone chloride

Systemtic Name: 2-[(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)amino]-1-phenothiazin-10-yl-ethanone chloride Openeye Name: 2-[(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)amino]-1-phenothiazin-10-yl-ethanone chloride CAS Name: 2-[(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)amino]-1-(10-phenothiazinyl)ethanone chloride IUPAC Name: 2-[(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)amino]-1-phenothiazin-10-ylethanone chloride Traditional Name: 2-[(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)amino]-1-phenothiazin-10-yl-ethanone chloride Formula: C22H26ClN3OS MolecularWeight: 415.97934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)NCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53.[Cl-]

Isomeric SMILES

C[NH+]1C2CCC1CC(C2)NCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53.[Cl-]

InChI

InChI=1S/C22H25N3OS.ClH/c1-24-16-10-11-17(24)13-15(12-16)23-14-22(26)25-18-6-2-4-8-20(18)27-21-9-5-3-7-19(21)25;/h2-9,15-17,23H,10-14H2,1H3;1H