3,4-dihydro-1H-isoquinolin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanone; ethanedioic acid

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanone; ethanedioic acid Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-thienylmethyl)-4-piperidyl]methanone; oxalic acid CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(thiophen-2-ylmethyl)-4-piperidinyl]methanone; oxalic acid IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(thiophen-2-ylmethyl)piperidin-4-yl]methanone; oxalic acid Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2-thenyl)-4-piperidyl]methanone; oxalic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CS4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1C(=O)N2CCC3=CC=CC=C3C2)CC4=CC=CS4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H24N2OS.C2H2O4/c23-20(22-12-9-16-4-1-2-5-18(16)14-22)17-7-10-21(11-8-17)15-19-6-3-13-24-19;3-1(4)2(5)6/h1-6,13,17H,7-12,14-15H2;(H,3,4)(H,5,6)