5-(4-hydroxyphenyl)-9-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol chloride

Systemtic Name: 5-(4-hydroxyphenyl)-9-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol chloride Openeye Name: 3-allyl-5-(4-hydroxyphenyl)-9-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol chloride CAS Name: 5-(4-hydroxyphenyl)-9-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol chloride IUPAC Name: 5-(4-hydroxyphenyl)-9-methyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol chloride Traditional Name: 3-allyl-5-(4-hydroxyphenyl)-9-methyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol chloride Formula: C20H23ClNO3- MolecularWeight: 360.85452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCN(CC(C2=CC(=C1O)O)C3=CC=C(C=C3)O)CC=C.[Cl-]

Isomeric SMILES

CC1=C2CCN(CC(C2=CC(=C1O)O)C3=CC=C(C=C3)O)CC=C.[Cl-]

InChI

InChI=1S/C20H23NO3.ClH/c1-3-9-21-10-8-16-13(2)20(24)19(23)11-17(16)18(12-21)14-4-6-15(22)7-5-14;/h3-7,11,18,22-24H,1,8-10,12H2,2H3;1H/p-1