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

Systemtic Name: 7-ethoxy-2-(4-methylphenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 7-ethoxy-5-phenyl-2-(p-tolyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 7-ethoxy-2-(4-methylphenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 7-ethoxy-2-(4-methylphenyl)-5-phenyl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 7-ethoxy-5-phenyl-2-(p-tolyl)-4H-1,3,4-benzotriazepin-1-ium Formula: C23H22N3O+ MolecularWeight: 356.44028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O/c1-3-27-19-13-14-21-20(15-19)22(17-7-5-4-6-8-17)25-26-23(24-21)18-11-9-16(2)10-12-18/h4-15,25H,3H2,1-2H3/p+1