1-[(5-chloranylthiophen-2-yl)-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-chloro-2-thienyl)-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-chloro-2-thiophenyl)-(3,4-dichlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-chlorothiophen-2-yl)-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-chloro-2-thienyl)-(3,4-dichlorophenyl)methyl]isonipecotic acid Formula: C17H16Cl3NO2S MolecularWeight: 404.73844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=C(C=C2)Cl)Cl)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=C(C=C2)Cl)Cl)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H16Cl3NO2S/c18-12-2-1-11(9-13(12)19)16(14-3-4-15(20)24-14)21-7-5-10(6-8-21)17(22)23/h1-4,9-10,16H,5-8H2,(H,22,23)