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

Systemtic Name: 2-(4-ethylphenyl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium Openeye Name: 2-(4-ethylphenyl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium CAS Name: 2-(4-ethylphenyl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium IUPAC Name: 2-(4-ethylphenyl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium Traditional Name: 2-(4-ethylphenyl)-5-(4-methoxyphenyl)-4H-1,3,4-benzotriazepin-1-ium Formula: C23H22N3O+ MolecularWeight: 356.44028

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=[NH+]2)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NNC(=C3C=CC=CC3=[NH+]2)C4=CC=C(C=C4)OC

InChI

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