1-(1-benzothiophen-2-yl)-3-piperidin-1-yl-propan-1-one; ethanedioic acid

Systemtic Name: 1-(1-benzothiophen-2-yl)-3-piperidin-1-yl-propan-1-one; ethanedioic acid Openeye Name: 1-(benzothiophen-2-yl)-3-(1-piperidyl)propan-1-one; oxalic acid CAS Name: 1-(1-benzothiophen-2-yl)-3-(1-piperidinyl)-1-propanone; oxalic acid IUPAC Name: 1-(1-benzothiophen-2-yl)-3-piperidin-1-ylpropan-1-one; oxalic acid Traditional Name: 1-(benzothiophen-2-yl)-3-piperidino-propan-1-one; oxalic acid Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC(=O)C2=CC3=CC=CC=C3S2.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCC(=O)C2=CC3=CC=CC=C3S2.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19NOS.C2H2O4/c18-14(8-11-17-9-4-1-5-10-17)16-12-13-6-2-3-7-15(13)19-16;3-1(4)2(5)6/h2-3,6-7,12H,1,4-5,8-11H2;(H,3,4)(H,5,6)