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

Systemtic Name: 5-(1-adamantyl)-7-methyl-2-phenyl-3H-4,1,2-benzothiadiazin-2-ium Openeye Name: 5-(1-adamantyl)-7-methyl-2-phenyl-3H-4,1,2-benzothiadiazin-2-ium CAS Name: 5-(1-adamantyl)-7-methyl-2-phenyl-3H-4,1,2-benzothiadiazin-2-ium IUPAC Name: 5-(1-adamantyl)-7-methyl-2-phenyl-3H-4,1,2-benzothiadiazin-2-ium Traditional Name: 5-(1-adamantyl)-7-methyl-2-phenyl-3H-4,1,2-benzothiadiazin-2-ium Formula: C24H27N2S+ MolecularWeight: 375.54958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N2S/c1-16-7-21(24-12-17-9-18(13-24)11-19(10-17)14-24)23-22(8-16)25-26(15-27-23)20-5-3-2-4-6-20/h2-8,17-19H,9-15H2,1H3/q+1