1-[[3,5-bis(bromanyl)-4-(dimethylamino)phenyl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[3,5-bis(bromanyl)-4-(dimethylamino)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[3,5-dibromo-4-(dimethylamino)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[[3,5-dibromo-4-(dimethylamino)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[3,5-dibromo-4-(dimethylamino)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[3,5-dibromo-4-(dimethylamino)benzyl]nipecotic acid Formula: C15H20Br2N2O2 MolecularWeight: 420.1395

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1Br)CN2CCCC(C2)C(=O)O)Br

Isomeric SMILES

CN(C)C1=C(C=C(C=C1Br)CN2CCCC(C2)C(=O)O)Br

InChI

InChI=1S/C15H20Br2N2O2/c1-18(2)14-12(16)6-10(7-13(14)17)8-19-5-3-4-11(9-19)15(20)21/h6-7,11H,3-5,8-9H2,1-2H3,(H,20,21)