1-azabicyclo[2.2.2]octan-3-yl 1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate; ethanedioic acid

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate; ethanedioic acid Openeye Name: oxalic acid; quinuclidin-3-yl 1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: oxalic acid; 1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carboxylate; oxalic acid Traditional Name: oxalic acid; 1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid quinuclidin-3-yl ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CS5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)N3CCC4=CC=CC=C4C3C5=CC=CS5.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24N2O2S.C2H2O4/c24-21(25-18-14-22-10-7-16(18)8-11-22)23-12-9-15-4-1-2-5-17(15)20(23)19-6-3-13-26-19;3-1(4)2(5)6/h1-6,13,16,18,20H,7-12,14H2;(H,3,4)(H,5,6)