(5S)-7-bromanyl-5-(2-chlorophenyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one

Systemtic Name: (5S)-7-bromanyl-5-(2-chlorophenyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one Openeye Name: (5S)-7-bromo-5-(2-chlorophenyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one CAS Name: (5S)-7-bromo-5-(2-chlorophenyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one IUPAC Name: (5S)-7-bromo-5-(2-chlorophenyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one Traditional Name: (5S)-7-bromo-5-(2-chlorophenyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one Formula: C15H13BrClN2O+ MolecularWeight: 352.63352

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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=C3Cl

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Br)[C@H]([NH2+]1)C3=CC=CC=C3Cl

InChI

InChI=1S/C15H12BrClN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7,15,18H,8H2,(H,19,20)/p+1/t15-/m1/s1