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

Systemtic Name: 3-(1-adamantyl)-8-methyl-2H-1,3-benzothiazin-3-ium Openeye Name: 3-(1-adamantyl)-8-methyl-2H-1,3-benzothiazin-3-ium CAS Name: 3-(1-adamantyl)-8-methyl-2H-1,3-benzothiazin-3-ium IUPAC Name: 3-(1-adamantyl)-8-methyl-2H-1,3-benzothiazin-3-ium Traditional Name: 3-(1-adamantyl)-8-methyl-2H-1,3-benzothiazin-3-ium Formula: C19H24NS+ MolecularWeight: 298.46556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1SC[N+](=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC2=C1SC[N+](=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H24NS/c1-13-3-2-4-17-11-20(12-21-18(13)17)19-8-14-5-15(9-19)7-16(6-14)10-19/h2-4,11,14-16H,5-10,12H2,1H3/q+1