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

Systemtic Name: (5S)-7-bromanyl-5-phenyl-4-(phenylmethyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one Openeye Name: (5S)-4-benzyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one CAS Name: (5S)-7-bromo-5-phenyl-4-(phenylmethyl)-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one IUPAC Name: (5S)-4-benzyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one Traditional Name: (5S)-4-benzyl-7-bromo-5-phenyl-1,3,4,5-tetrahydro-1,4-benzodiazepin-4-ium-2-one Formula: C22H20BrN2O+ MolecularWeight: 408.311

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Br)C([NH+]1CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Br)[C@@H]([NH+]1CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H19BrN2O/c23-18-11-12-20-19(13-18)22(17-9-5-2-6-10-17)25(15-21(26)24-20)14-16-7-3-1-4-8-16/h1-13,22H,14-15H2,(H,24,26)/p+1/t22-/m0/s1