5-(4-fluorophenyl)-7-methoxy-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-fluorophenyl)-7-methoxy-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-fluorophenyl)-7-methoxy-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine CAS Name: 5-(4-fluorophenyl)-7-methoxy-2-(3-pyridin-1-iumyl)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-fluorophenyl)-7-methoxy-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-fluorophenyl)-7-methoxy-2-pyridin-1-ium-3-yl-4H-1,3,4-benzotriazepine Formula: C20H16FN4O+ MolecularWeight: 347.365643

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NN=C(N=C2C=C1)C3=C[NH+]=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC2=C(NN=C(N=C2C=C1)C3=C[NH+]=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H15FN4O/c1-26-16-8-9-18-17(11-16)19(13-4-6-15(21)7-5-13)24-25-20(23-18)14-3-2-10-22-12-14/h2-12,24H,1H3/p+1