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

Systemtic Name: 9-chloranyl-5-(4-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Openeye Name: 9-chloro-5-(p-tolyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide CAS Name: 9-chloro-5-(4-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide IUPAC Name: 9-chloro-5-(4-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Traditional Name: 9-chloro-5-(p-tolyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol bromide Formula: C17H18BrClNO2- MolecularWeight: 383.68732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)O)O)Cl.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2CNCCC3=C(C(=C(C=C23)O)O)Cl.[Br-]

InChI

InChI=1S/C17H18ClNO2.BrH/c1-10-2-4-11(5-3-10)14-9-19-7-6-12-13(14)8-15(20)17(21)16(12)18;/h2-5,8,14,19-21H,6-7,9H2,1H3;1H/p-1