1-(1-isoquinolin-6-ylpropyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(1-isoquinolin-6-ylpropyl)piperidine-3-carboxylic acid Openeye Name: 1-[1-(6-isoquinolyl)propyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(6-isoquinolinyl)propyl]-3-piperidinecarboxylic acid IUPAC Name: 1-(1-isoquinolin-6-ylpropyl)piperidine-3-carboxylic acid Traditional Name: 1-[1-(6-isoquinolyl)propyl]nipecotic acid Formula: C18H22N2O2 MolecularWeight: 298.37948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC2=C(C=C1)C=NC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC(C1=CC2=C(C=C1)C=NC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C18H22N2O2/c1-2-17(20-9-3-4-16(12-20)18(21)22)14-5-6-15-11-19-8-7-13(15)10-14/h5-8,10-11,16-17H,2-4,9,12H2,1H3,(H,21,22)