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

Systemtic Name: 2-[(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)amino]-1-phenothiazin-10-yl-ethanone Openeye Name: 2-[(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)amino]-1-phenothiazin-10-yl-ethanone CAS Name: 2-[(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)amino]-1-(10-phenothiazinyl)ethanone IUPAC Name: 2-[(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)amino]-1-phenothiazin-10-ylethanone Traditional Name: 2-[(8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)amino]-1-phenothiazin-10-yl-ethanone Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3OS/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/p+1