9-chloranyl-5-(4-chloranyl-3-oxidanyl-phenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide

Systemtic Name: 9-chloranyl-5-(4-chloranyl-3-oxidanyl-phenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Openeye Name: 3-allyl-9-chloro-5-(4-chloro-3-hydroxy-phenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide CAS Name: 9-chloro-5-(4-chloro-3-hydroxyphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide IUPAC Name: 9-chloro-5-(4-chloro-3-hydroxyphenyl)-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Traditional Name: 3-allyl-9-chloro-5-(4-chloro-3-hydroxy-phenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Formula: C19H19BrCl2NO3- MolecularWeight: 460.16906

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC(=C(C=C3)Cl)O)O)O)Cl.[Br-]

Isomeric SMILES

C=CCN1CCC2=C(C(=C(C=C2C(C1)C3=CC(=C(C=C3)Cl)O)O)O)Cl.[Br-]

InChI

InChI=1S/C19H19Cl2NO3.BrH/c1-2-6-22-7-5-12-13(9-17(24)19(25)18(12)21)14(10-22)11-3-4-15(20)16(23)8-11;/h2-4,8-9,14,23-25H,1,5-7,10H2;1H/p-1