5-(1-adamantyl)-7-methyl-2-phenyl-4,1,2-benzothiadiazin-2-ium-3-one

Systemtic Name: 5-(1-adamantyl)-7-methyl-2-phenyl-4,1,2-benzothiadiazin-2-ium-3-one Openeye Name: 5-(1-adamantyl)-7-methyl-2-phenyl-4,1,2-benzothiadiazin-2-ium-3-one CAS Name: 5-(1-adamantyl)-7-methyl-2-phenyl-4,1,2-benzothiadiazin-2-ium-3-one IUPAC Name: 5-(1-adamantyl)-7-methyl-2-phenyl-4,1,2-benzothiadiazin-2-ium-3-one Traditional Name: 5-(1-adamantyl)-7-methyl-2-phenyl-4,1,2-benzothiadiazin-2-ium-3-one Formula: C24H25N2OS+ MolecularWeight: 389.5331

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1)C34CC5CC(C3)CC(C5)C4)SC(=O)[N+](=N2)C6=CC=CC=C6

Isomeric SMILES

CC1=CC2=C(C(=C1)C34CC5CC(C3)CC(C5)C4)SC(=O)[N+](=N2)C6=CC=CC=C6

InChI

InChI=1S/C24H25N2OS/c1-15-7-20(24-12-16-9-17(13-24)11-18(10-16)14-24)22-21(8-15)25-26(23(27)28-22)19-5-3-2-4-6-19/h2-8,16-18H,9-14H2,1H3/q+1