4-(1-adamantyl)-4,5,7-trimethyl-2-phenyl-3H-1,2,4-benzotriazine-2,4-diium

Systemtic Name: 4-(1-adamantyl)-4,5,7-trimethyl-2-phenyl-3H-1,2,4-benzotriazine-2,4-diium Openeye Name: 4-(1-adamantyl)-4,5,7-trimethyl-2-phenyl-3H-1,2,4-benzotriazine-2,4-diium CAS Name: 4-(1-adamantyl)-4,5,7-trimethyl-2-phenyl-3H-1,2,4-benzotriazine-2,4-diium IUPAC Name: 4-(1-adamantyl)-4,5,7-trimethyl-2-phenyl-3H-1,2,4-benzotriazine-2,4-diium Traditional Name: 4-(1-adamantyl)-4,5,7-trimethyl-2-phenyl-3H-1,2,4-benzotriazine-2,4-diium Formula: C26H33N3+2 MolecularWeight: 387.56032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=[N+](C[N+]2(C)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=[N+](C[N+]2(C)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6)C

InChI

InChI=1S/C26H33N3/c1-18-9-19(2)25-24(10-18)27-28(23-7-5-4-6-8-23)17-29(25,3)26-14-20-11-21(15-26)13-22(12-20)16-26/h4-10,20-22H,11-17H2,1-3H3/q+2