5-(4-methoxyphenyl)-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-methoxyphenyl)-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-methoxyphenyl)-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine CAS Name: 5-(4-methoxyphenyl)-2-(3-pyridin-1-iumyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-methoxyphenyl)-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-methoxyphenyl)-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine Formula: C20H17N4O+ MolecularWeight: 329.37518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O/c1-25-16-10-8-14(9-11-16)19-17-6-2-3-7-18(17)22-20(24-23-19)15-5-4-12-21-13-15/h2-13,23H,1H3/p+1