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

Systemtic Name: ethanedioic acid; 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: oxalic acid; 2-[1-(3-pyridylmethyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline CAS Name: oxalic acid; 2-[1-(3-pyridinylmethyl)-4-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: oxalic acid; 2-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: oxalic acid; 2-[1-(3-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=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCC3=CC=CC=C3C2)CC4=CN=CC=C4.C(=O)(C(=O)O)O

InChI

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