2-(4-tert-butylphenyl)-7-ethoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium CAS Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 2-(4-tert-butylphenyl)-7-ethoxy-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Formula: C26H28N3O+ MolecularWeight: 398.52002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(NN=C([NH+]=C2C=C1)C3=CC=C(C=C3)C(C)(C)C)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O/c1-5-30-21-15-16-23-22(17-21)24(18-9-7-6-8-10-18)28-29-25(27-23)19-11-13-20(14-12-19)26(2,3)4/h6-17,28H,5H2,1-4H3/p+1