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

Systemtic Name: 5-(1-adamantyl)-4,7-dimethyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium Openeye Name: 5-(1-adamantyl)-4,7-dimethyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium CAS Name: 5-(1-adamantyl)-4,7-dimethyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium IUPAC Name: 5-(1-adamantyl)-4,7-dimethyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium Traditional Name: 5-(1-adamantyl)-4,7-dimethyl-2-phenyl-3H-1,2,4-benzotriazin-4-ium Formula: C25H30N3+ MolecularWeight: 372.5258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N3/c1-17-8-22(25-13-18-10-19(14-25)12-20(11-18)15-25)24-23(9-17)26-28(16-27(24)2)21-6-4-3-5-7-21/h3-9,18-20H,10-16H2,1-2H3/q+1