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

Systemtic Name: 4-(4-bromophenyl)-2-methyl-1H-1,5-benzodiazepin-5-ium Openeye Name: 4-(4-bromophenyl)-2-methyl-1H-1,5-benzodiazepin-5-ium CAS Name: 4-(4-bromophenyl)-2-methyl-1H-1,5-benzodiazepin-5-ium IUPAC Name: 4-(4-bromophenyl)-2-methyl-1H-1,5-benzodiazepin-5-ium Traditional Name: 4-(4-bromophenyl)-2-methyl-1H-1,5-benzodiazepin-5-ium Formula: C16H14BrN2+ MolecularWeight: 314.19976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2/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/p+1