(5S)-9-bromanyl-5-(4-bromophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol

Systemtic Name: (5S)-9-bromanyl-5-(4-bromophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol Openeye Name: (5S)-9-bromo-5-(4-bromophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol CAS Name: (5S)-9-bromo-5-(4-bromophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol IUPAC Name: (5S)-9-bromo-5-(4-bromophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol Traditional Name: (5S)-9-bromo-5-(4-bromophenyl)-2,3,4,5-tetrahydro-1H-3-benzazepin-3-ium-7,8-diol Formula: C16H16Br2NO2+ MolecularWeight: 414.11174

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC(C2=CC(=C(C(=C21)Br)O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1C[NH2+]C[C@H](C2=CC(=C(C(=C21)Br)O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H15Br2NO2/c17-10-3-1-9(2-4-10)13-8-19-6-5-11-12(13)7-14(20)16(21)15(11)18/h1-4,7,13,19-21H,5-6,8H2/p+1/t13-/m0/s1