8-(1-adamantyl)-3-phenyl-2H-1,3-benzothiazin-3-ium

Systemtic Name: 8-(1-adamantyl)-3-phenyl-2H-1,3-benzothiazin-3-ium Openeye Name: 8-(1-adamantyl)-3-phenyl-2H-1,3-benzothiazin-3-ium CAS Name: 8-(1-adamantyl)-3-phenyl-2H-1,3-benzothiazin-3-ium IUPAC Name: 8-(1-adamantyl)-3-phenyl-2H-1,3-benzothiazin-3-ium Traditional Name: 8-(1-adamantyl)-3-phenyl-2H-1,3-benzothiazin-3-ium Formula: C24H26NS+ MolecularWeight: 360.53494

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CC=CC5=C4SC[N+](=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CC=CC5=C4SC[N+](=C5)C6=CC=CC=C6

InChI

InChI=1S/C24H26NS/c1-2-6-21(7-3-1)25-15-20-5-4-8-22(23(20)26-16-25)24-12-17-9-18(13-24)11-19(10-17)14-24/h1-8,15,17-19H,9-14,16H2/q+1