4-(4-bromophenyl)-2-methyl-1H-1,5-benzodiazepin-5-ium chloride

Systemtic Name: 4-(4-bromophenyl)-2-methyl-1H-1,5-benzodiazepin-5-ium chloride Openeye Name: 4-(4-bromophenyl)-2-methyl-1H-1,5-benzodiazepin-5-ium chloride CAS Name: 4-(4-bromophenyl)-2-methyl-1H-1,5-benzodiazepin-5-ium chloride IUPAC Name: 4-(4-bromophenyl)-2-methyl-1H-1,5-benzodiazepin-5-ium chloride Traditional Name: 4-(4-bromophenyl)-2-methyl-1H-1,5-benzodiazepin-5-ium chloride Formula: C16H14BrClN2 MolecularWeight: 349.65276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=CC=CC=C2N1)C3=CC=C(C=C3)Br.[Cl-]

Isomeric SMILES

CC1=CC(=[NH+]C2=CC=CC=C2N1)C3=CC=C(C=C3)Br.[Cl-]

InChI

InChI=1S/C16H13BrN2.ClH/c1-11-10-16(12-6-8-13(17)9-7-12)19-15-5-3-2-4-14(15)18-11;/h2-10,18H,1H3;1H