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

Systemtic Name: ethanedioic acid; 2-[1-[1-(phenylmethyl)piperidin-4-yl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-(1-benzyl-4-piperidyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: oxalic acid; 2-[1-[1-(phenylmethyl)-4-piperidinyl]-4-piperidinyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-[1-(1-benzyl-4-piperidyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C28H37N3O4 MolecularWeight: 479.61108

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC(CC2)N3CCC4=CC=CC=C4C3)CC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCC(CC2)N3CCC4=CC=CC=C4C3)CC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H35N3.C2H2O4/c1-2-6-22(7-3-1)20-27-15-11-25(12-16-27)28-18-13-26(14-19-28)29-17-10-23-8-4-5-9-24(23)21-29;3-1(4)2(5)6/h1-9,25-26H,10-21H2;(H,3,4)(H,5,6)