ethanedioic acid; 3-(1-ethyl-2-methyl-piperidin-4-yl)-1-benzothiophene-4-carbonitrile

Systemtic Name: ethanedioic acid; 3-(1-ethyl-2-methyl-piperidin-4-yl)-1-benzothiophene-4-carbonitrile Openeye Name: 3-(1-ethyl-2-methyl-4-piperidyl)benzothiophene-4-carbonitrile; oxalic acid CAS Name: 3-(1-ethyl-2-methyl-4-piperidinyl)-1-benzothiophene-4-carbonitrile; oxalic acid IUPAC Name: 3-(1-ethyl-2-methylpiperidin-4-yl)-1-benzothiophene-4-carbonitrile; oxalic acid Traditional Name: 3-(1-ethyl-2-methyl-4-piperidyl)benzothiophene-4-carbonitrile; oxalic acid Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1C)C2=CSC3=CC=CC(=C32)C#N.C(=O)(C(=O)O)O

Isomeric SMILES

CCN1CCC(CC1C)C2=CSC3=CC=CC(=C32)C#N.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H20N2S.C2H2O4/c1-3-19-8-7-13(9-12(19)2)15-11-20-16-6-4-5-14(10-18)17(15)16;3-1(4)2(5)6/h4-6,11-13H,3,7-9H2,1-2H3;(H,3,4)(H,5,6)