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

Systemtic Name: 7-ethyl-5-(4-fluorophenyl)-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-ethyl-5-(4-fluorophenyl)-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepine CAS Name: 7-ethyl-5-(4-fluorophenyl)-2-(4-pyridin-1-iumyl)-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethyl-5-(4-fluorophenyl)-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-ethyl-5-(4-fluorophenyl)-2-pyridin-1-ium-4-yl-4H-1,3,4-benzotriazepine Formula: C21H18FN4+ MolecularWeight: 345.392823

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=[NH+]C=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC2=C(NN=C(N=C2C=C1)C3=CC=[NH+]C=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H17FN4/c1-2-14-3-8-19-18(13-14)20(15-4-6-17(22)7-5-15)25-26-21(24-19)16-9-11-23-12-10-16/h3-13,25H,2H2,1H3/p+1