[3-[[(4S)-8-bromanyl-6-(2-chlorophenyl)-3-oxidanylidene-2,4-dihydro-1H-1,5-benzodiazocin-1-ium-4-yl]oxy]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[[(4S)-8-bromanyl-6-(2-chlorophenyl)-3-oxidanylidene-2,4-dihydro-1H-1,5-benzodiazocin-1-ium-4-yl]oxy]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[[(4S)-8-bromo-6-(2-chlorophenyl)-3-oxo-2,4-dihydro-1H-1,5-benzodiazocin-1-ium-4-yl]oxy]-3-oxo-propyl]ammonium CAS Name: [3-[[(4S)-8-bromo-6-(2-chlorophenyl)-3-oxo-2,4-dihydro-1H-1,5-benzodiazocin-1-ium-4-yl]oxy]-3-oxopropyl]ammonium IUPAC Name: [3-[[(4S)-8-bromo-6-(2-chlorophenyl)-3-oxo-2,4-dihydro-1H-1,5-benzodiazocin-1-ium-4-yl]oxy]-3-oxopropyl]azanium Traditional Name: [3-[[(4S)-8-bromo-6-(2-chlorophenyl)-3-keto-2,4-dihydro-1H-1,5-benzodiazocin-1-ium-4-yl]oxy]-3-keto-propyl]ammonium Formula: C19H19BrClN3O3+2 MolecularWeight: 452.72946

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(N=C(C2=C([NH2+]1)C=CC(=C2)Br)C3=CC=CC=C3Cl)OC(=O)CC[NH3+]

Isomeric SMILES

C1C(=O)[C@@H](N=C(C2=C([NH2+]1)C=CC(=C2)Br)C3=CC=CC=C3Cl)OC(=O)CC[NH3+]

InChI

InChI=1S/C19H17BrClN3O3/c20-11-5-6-15-13(9-11)18(12-3-1-2-4-14(12)21)24-19(16(25)10-23-15)27-17(26)7-8-22/h1-6,9,19,23H,7-8,10,22H2/p+2/t19-/m0/s1