2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-12-ium-6-amine bromide

Systemtic Name: 2-iodanyl-11H-pyrido[1,2-b][2,4]benzodiazepin-12-ium-6-amine bromide Openeye Name: 2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-12-ium-6-amine bromide CAS Name: 2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-12-ium-6-amine bromide IUPAC Name: 2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-12-ium-6-amine bromide Traditional Name: (2-iodo-11H-pyrido[1,2-b][2,4]benzodiazepin-12-ium-6-yl)amine bromide Formula: C13H11BrIN3 MolecularWeight: 416.05501

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2C(=NC3=[N+]1C=C(C=C3)I)N.[Br-]

Isomeric SMILES

C1C2=CC=CC=C2C(=NC3=[N+]1C=C(C=C3)I)N.[Br-]

InChI

InChI=1S/C13H10IN3.BrH/c14-10-5-6-12-16-13(15)11-4-2-1-3-9(11)7-17(12)8-10;/h1-6,8,15H,7H2;1H