6-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide

Systemtic Name: 6-chloranyl-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Openeye Name: 6-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide CAS Name: 6-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide IUPAC Name: 6-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Traditional Name: 6-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Formula: C16H16BrClNO3- MolecularWeight: 385.66014

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C2=C(C(=C(C=C21)O)O)Cl)C3=CC=C(C=C3)O.[Br-]

Isomeric SMILES

C1CNCC(C2=C(C(=C(C=C21)O)O)Cl)C3=CC=C(C=C3)O.[Br-]

InChI

InChI=1S/C16H16ClNO3.BrH/c17-15-14-10(7-13(20)16(15)21)5-6-18-8-12(14)9-1-3-11(19)4-2-9;/h1-4,7,12,18-21H,5-6,8H2;1H/p-1