7-ethoxy-2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium

Systemtic Name: 7-ethoxy-2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 7-ethoxy-2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium CAS Name: 7-ethoxy-2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 7-ethoxy-2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 7-ethoxy-2,5-diphenyl-4H-1,3,4-benzotriazepin-1-ium Formula: C22H20N3O+ MolecularWeight: 342.4137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O/c1-2-26-18-13-14-20-19(15-18)21(16-9-5-3-6-10-16)24-25-22(23-20)17-11-7-4-8-12-17/h3-15,24H,2H2,1H3/p+1