1-[(5-bromanylthiophen-2-yl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-dimethylaminophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-dimethylaminophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(4-dimethylaminophenyl)methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=C(S2)Br)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H23BrN2O2S/c1-21(2)15-7-5-13(6-8-15)18(16-9-10-17(20)25-16)22-11-3-4-14(12-22)19(23)24/h5-10,14,18H,3-4,11-12H2,1-2H3,(H,23,24)