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

Systemtic Name: ethanedioic acid; 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[1-[(4-fluorophenyl)methyl]-4-piperidyl]-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 2-[1-[(4-fluorophenyl)methyl]-4-piperidinyl]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-[1-(4-fluorobenzyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C23H27FN2O4 MolecularWeight: 414.469883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2.C2H2O4/c22-20-7-5-17(6-8-20)15-23-12-10-21(11-13-23)24-14-9-18-3-1-2-4-19(18)16-24;3-1(4)2(5)6/h1-8,21H,9-16H2;(H,3,4)(H,5,6)