ethanedioic acid; 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: ethanedioic acid; 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: oxalic acid; 2-[1-(2-pyridylmethyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: oxalic acid; 2-[1-(2-pyridinylmethyl)-4-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: oxalic acid; 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: oxalic acid; 2-[1-(2-pyridylmethyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC3=CC=CC=C3C2)CC4=CC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCC3=CC=CC=C3C2)CC4=CC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H25N3.C2H2O4/c1-2-6-18-15-23(14-8-17(18)5-1)20-9-12-22(13-10-20)16-19-7-3-4-11-21-19;3-1(4)2(5)6/h1-7,11,20H,8-10,12-16H2;(H,3,4)(H,5,6)