4-phenyl-2-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium

Systemtic Name: 4-phenyl-2-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium Openeye Name: 4-phenyl-2-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium CAS Name: 4-phenyl-2-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium IUPAC Name: 4-phenyl-2-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium Traditional Name: 4-phenyl-2-(trifluoromethyl)-1H-1,5-benzodiazepin-5-ium Formula: C16H12F3N2+ MolecularWeight: 289.27509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=[NH+]C3=CC=CC=C3NC(=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C2=[NH+]C3=CC=CC=C3NC(=C2)C(F)(F)F

InChI

InChI=1S/C16H11F3N2/c17-16(18,19)15-10-14(11-6-2-1-3-7-11)20-12-8-4-5-9-13(12)21-15/h1-10,21H/p+1