5-(1-adamantyl)-4,7-dimethyl-2-phenyl-1,2,4-benzotriazin-4-ium-3-one

Systemtic Name: 5-(1-adamantyl)-4,7-dimethyl-2-phenyl-1,2,4-benzotriazin-4-ium-3-one Openeye Name: 5-(1-adamantyl)-4,7-dimethyl-2-phenyl-1,2,4-benzotriazin-4-ium-3-one CAS Name: 5-(1-adamantyl)-4,7-dimethyl-2-phenyl-1,2,4-benzotriazin-4-ium-3-one IUPAC Name: 5-(1-adamantyl)-4,7-dimethyl-2-phenyl-1,2,4-benzotriazin-4-ium-3-one Traditional Name: 5-(1-adamantyl)-4,7-dimethyl-2-phenyl-1,2,4-benzotriazin-4-ium-3-one Formula: C25H28N3O+ MolecularWeight: 386.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(C(=O)[N+](=C2C(=C1)C34CC5CC(C3)CC(C5)C4)C)C6=CC=CC=C6

Isomeric SMILES

CC1=CC2=NN(C(=O)[N+](=C2C(=C1)C34CC5CC(C3)CC(C5)C4)C)C6=CC=CC=C6

InChI

InChI=1S/C25H28N3O/c1-16-8-21(25-13-17-10-18(14-25)12-19(11-17)15-25)23-22(9-16)26-28(24(29)27(23)2)20-6-4-3-5-7-20/h3-9,17-19H,10-15H2,1-2H3/q+1