(5R)-7-bromanyl-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one

Systemtic Name: (5R)-7-bromanyl-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one Openeye Name: (5R)-7-bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one CAS Name: (5R)-7-bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one IUPAC Name: (5R)-7-bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one Traditional Name: (5R)-7-bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one Formula: C15H14BrN2O+ MolecularWeight: 318.18846

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Br)C([NH2+]1)C3=CC=CC=C3

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Br)[C@H]([NH2+]1)C3=CC=CC=C3

InChI

InChI=1S/C15H13BrN2O/c16-11-6-7-13-12(8-11)15(17-9-14(19)18-13)10-4-2-1-3-5-10/h1-8,15,17H,9H2,(H,18,19)/p+1/t15-/m1/s1