(7-bromanyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)methanamine

Systemtic Name: (7-bromanyl-4-oxidanidyl-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)methanamine Openeye Name: (7-bromo-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)methanamine CAS Name: (7-bromo-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)methanamine IUPAC Name: (7-bromo-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)methanamine Traditional Name: (7-bromo-4-oxido-5-phenyl-3H-1,4-benzodiazepin-4-ium-2-yl)methylamine Formula: C16H14BrN3O MolecularWeight: 344.20586

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)Br)C(=[N+]1[O-])C3=CC=CC=C3)CN

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)Br)C(=[N+]1[O-])C3=CC=CC=C3)CN

InChI

InChI=1S/C16H14BrN3O/c17-12-6-7-15-14(8-12)16(11-4-2-1-3-5-11)20(21)10-13(9-18)19-15/h1-8H,9-10,18H2