1-[(5-bromanylthiophen-2-yl)-(4-dimethylaminophenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-dimethylaminophenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-dimethylaminophenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-dimethylaminophenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-dimethylaminophenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(4-dimethylaminophenyl)methyl]pipecolinic acid Formula: C19H23BrN2O2S MolecularWeight: 423.36712

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCCC3C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCCC3C(=O)O

InChI

InChI=1S/C19H23BrN2O2S/c1-21(2)14-8-6-13(7-9-14)18(16-10-11-17(20)25-16)22-12-4-3-5-15(22)19(23)24/h6-11,15,18H,3-5,12H2,1-2H3,(H,23,24)