2-(4-tert-butylphenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 2-(4-tert-butylphenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 2-(4-tert-butylphenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium CAS Name: 2-(4-tert-butylphenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 2-(4-tert-butylphenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 2-(4-tert-butylphenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Formula: C24H24N3+ MolecularWeight: 354.46746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=[NH+]2)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=[NH+]2)C4=CC=CC=C4

InChI

InChI=1S/C24H23N3/c1-24(2,3)19-15-13-18(14-16-19)23-25-21-12-8-7-11-20(21)22(26-27-23)17-9-5-4-6-10-17/h4-16,26H,1-3H3/p+1