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

Systemtic Name: 9-chloranyl-5-(4-hydroxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Openeye Name: 9-chloro-5-(4-hydroxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide CAS Name: 9-chloro-5-(4-hydroxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide IUPAC Name: 9-chloro-5-(4-hydroxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Traditional Name: 9-chloro-5-(4-hydroxyphenyl)-3-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol bromide Formula: C17H18BrClNO3- MolecularWeight: 399.68672

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)O)O)O)Cl.[Br-]

Isomeric SMILES

CN1CCC2=C(C(=C(C=C2C(C1)C3=CC=C(C=C3)O)O)O)Cl.[Br-]

InChI

InChI=1S/C17H18ClNO3.BrH/c1-19-7-6-12-13(8-15(21)17(22)16(12)18)14(9-19)10-2-4-11(20)5-3-10;/h2-5,8,14,20-22H,6-7,9H2,1H3;1H/p-1