1-[(1-methylbenzimidazol-2-yl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(1-methylbenzimidazol-2-yl)-thiophen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(1-methylbenzimidazol-2-yl)-(2-thienyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(1-methyl-2-benzimidazolyl)-thiophen-2-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(1-methylbenzimidazol-2-yl)-thiophen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(1-methylbenzimidazol-2-yl)-(2-thienyl)methyl]isonipecotic acid Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1C(C3=CC=CS3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2N=C1C(C3=CC=CS3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C19H21N3O2S/c1-21-15-6-3-2-5-14(15)20-18(21)17(16-7-4-12-25-16)22-10-8-13(9-11-22)19(23)24/h2-7,12-13,17H,8-11H2,1H3,(H,23,24)