1-[2-oxidanyl-3-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]propyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-oxidanyl-3-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]propyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-hydroxy-3-[[1-[2-(4-pyridyl)ethyl]-4-piperidyl]amino]propyl]piperidine-4-carboxylic acid CAS Name: 1-[2-hydroxy-3-[[1-(2-pyridin-4-ylethyl)-4-piperidinyl]amino]propyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-hydroxy-3-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]amino]propyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-hydroxy-3-[[1-[2-(4-pyridyl)ethyl]-4-piperidyl]amino]propyl]isonipecotic acid Formula: C21H34N4O3 MolecularWeight: 390.51966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)CC(CNC2CCN(CC2)CCC3=CC=NC=C3)O

Isomeric SMILES

C1CN(CCC1C(=O)O)CC(CNC2CCN(CC2)CCC3=CC=NC=C3)O

InChI

InChI=1S/C21H34N4O3/c26-20(16-25-11-4-18(5-12-25)21(27)28)15-23-19-6-13-24(14-7-19)10-3-17-1-8-22-9-2-17/h1-2,8-9,18-20,23,26H,3-7,10-16H2,(H,27,28)