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

Systemtic Name: 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline; ethanedioic acid Openeye Name: 2-[1-[(3-chlorophenyl)methyl]-4-piperidyl]-3,4-dihydro-1H-isoquinoline; oxalic acid CAS Name: 2-[1-[(3-chlorophenyl)methyl]-4-piperidinyl]-3,4-dihydro-1H-isoquinoline; oxalic acid IUPAC Name: 2-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-1H-isoquinoline; oxalic acid Traditional Name: 2-[1-(3-chlorobenzyl)-4-piperidyl]-3,4-dihydro-1H-isoquinoline; oxalic acid Formula: C23H27ClN2O4 MolecularWeight: 430.92448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2.C2H2O4/c22-20-7-3-4-17(14-20)15-23-11-9-21(10-12-23)24-13-8-18-5-1-2-6-19(18)16-24;3-1(4)2(5)6/h1-7,14,21H,8-13,15-16H2;(H,3,4)(H,5,6)