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

Systemtic Name: 5-(4-methoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 5-(4-methoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepin-1-ium CAS Name: 5-(4-methoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 5-(4-methoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 5-(4-methoxyphenyl)-2-phenyl-4H-1,3,4-benzotriazepin-1-ium Formula: C21H18N3O+ MolecularWeight: 328.38712

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C=CC=CC3=[NH+]C(=NN2)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C=CC=CC3=[NH+]C(=NN2)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O/c1-25-17-13-11-15(12-14-17)20-18-9-5-6-10-19(18)22-21(24-23-20)16-7-3-2-4-8-16/h2-14,23H,1H3/p+1