2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methylamino]quinoline-4-carboxylic acid

Systemtic Name: 2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methylamino]quinoline-4-carboxylic acid Openeye Name: 2-[[1-[2-(2-thienyl)ethyl]-4-piperidyl]methylamino]quinoline-4-carboxylic acid CAS Name: 2-[[1-(2-thiophen-2-ylethyl)-4-piperidinyl]methylamino]-4-quinolinecarboxylic acid IUPAC Name: 2-[[1-(2-thiophen-2-ylethyl)piperidin-4-yl]methylamino]quinoline-4-carboxylic acid Traditional Name: 2-[[1-[2-(2-thienyl)ethyl]-4-piperidyl]methylamino]cinchoninic acid Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CNC2=NC3=CC=CC=C3C(=C2)C(=O)O)CCC4=CC=CS4

Isomeric SMILES

C1CN(CCC1CNC2=NC3=CC=CC=C3C(=C2)C(=O)O)CCC4=CC=CS4

InChI

InChI=1S/C22H25N3O2S/c26-22(27)19-14-21(24-20-6-2-1-5-18(19)20)23-15-16-7-10-25(11-8-16)12-9-17-4-3-13-28-17/h1-6,13-14,16H,7-12,15H2,(H,23,24)(H,26,27)