7-fluoranyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium

Systemtic Name: 7-fluoranyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium Openeye Name: 7-fluoro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium CAS Name: 7-fluoro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium IUPAC Name: 7-fluoro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium Traditional Name: 7-fluoro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-4-ium Formula: C9H12FN2+ MolecularWeight: 167.203383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNC2=C(C[NH2+]1)C=C(C=C2)F

Isomeric SMILES

C1CNC2=C(C[NH2+]1)C=C(C=C2)F

InChI

InChI=1S/C9H11FN2/c10-8-1-2-9-7(5-8)6-11-3-4-12-9/h1-2,5,11-12H,3-4,6H2/p+1