(6E)-9-bromanyl-1-methyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylic acid

Systemtic Name: (6E)-9-bromanyl-1-methyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylic acid Openeye Name: (6E)-9-bromo-1-methyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylic acid CAS Name: (6E)-9-bromo-1-methyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylic acid IUPAC Name: (6E)-9-bromo-1-methyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylic acid Traditional Name: (6E)-9-bromo-1-methyl-2,3,4,5-tetrahydro-1-benzazonine-6-carboxylic acid Formula: C14H16BrNO2 MolecularWeight: 310.18634

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(=CC2=C1C=CC(=C2)Br)C(=O)O

Isomeric SMILES

CN1CCCC/C(=C\C2=C1C=CC(=C2)Br)/C(=O)O

InChI

InChI=1S/C14H16BrNO2/c1-16-7-3-2-4-10(14(17)18)8-11-9-12(15)5-6-13(11)16/h5-6,8-9H,2-4,7H2,1H3,(H,17,18)/b10-8+