5-bromanyl-2-pyridin-1-ium-4-yl-3,4-dihydro-1,2,3-benzotriazepin-1-ium

Systemtic Name: 5-bromanyl-2-pyridin-1-ium-4-yl-3,4-dihydro-1,2,3-benzotriazepin-1-ium Openeye Name: 5-bromo-2-pyridin-1-ium-4-yl-3,4-dihydro-1,2,3-benzotriazepin-1-ium CAS Name: 5-bromo-2-(4-pyridin-1-iumyl)-3,4-dihydro-1,2,3-benzotriazepin-1-ium IUPAC Name: 5-bromo-2-pyridin-1-ium-4-yl-3,4-dihydro-1,2,3-benzotriazepin-1-ium Traditional Name: 5-bromo-2-pyridin-1-ium-4-yl-3,4-dihydro-1,2,3-benzotriazepin-1-ium Formula: C13H13BrN4+2 MolecularWeight: 305.17312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C2C=CC=CC2=[NH+]N(N1)C3=CC=[NH+]C=C3)Br

Isomeric SMILES

C1C(=C2C=CC=CC2=[NH+]N(N1)C3=CC=[NH+]C=C3)Br

InChI

InChI=1S/C13H11BrN4/c14-12-9-16-18(10-5-7-15-8-6-10)17-13-4-2-1-3-11(12)13/h1-8,16H,9H2/p+2