N-(2-diethylaminoethyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide; ethanedioic acid

Systemtic Name: N-(2-diethylaminoethyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide; ethanedioic acid Openeye Name: N-(2-diethylaminoethyl)-1-[(3-methyl-2-thienyl)methyl]piperidine-4-carboxamide; oxalic acid CAS Name: N-(2-diethylaminoethyl)-1-[(3-methyl-2-thiophenyl)methyl]-4-piperidinecarboxamide; oxalic acid IUPAC Name: N-(2-diethylaminoethyl)-1-[(3-methylthiophen-2-yl)methyl]piperidine-4-carboxamide; oxalic acid Traditional Name: N-(2-diethylaminoethyl)-1-[(3-methyl-2-thienyl)methyl]isonipecotamide; oxalic acid Formula: C20H33N3O5S MolecularWeight: 427.55812

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1CCN(CC1)CC2=C(C=CS2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCNC(=O)C1CCN(CC1)CC2=C(C=CS2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H31N3OS.C2H2O4/c1-4-20(5-2)12-9-19-18(22)16-6-10-21(11-7-16)14-17-15(3)8-13-23-17;3-1(4)2(5)6/h8,13,16H,4-7,9-12,14H2,1-3H3,(H,19,22);(H,3,4)(H,5,6)