ethanedioic acid; [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-piperidin-1-yl-methanone

Systemtic Name: ethanedioic acid; [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(3-methyl-2-thienyl)methyl]-4-piperidyl]-(1-piperidyl)methanone; oxalic acid CAS Name: [1-[(3-methyl-2-thiophenyl)methyl]-4-piperidinyl]-(1-piperidinyl)methanone; oxalic acid IUPAC Name: [1-[(3-methylthiophen-2-yl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone; oxalic acid Traditional Name: [1-[(3-methyl-2-thienyl)methyl]-4-piperidyl]-piperidino-methanone; oxalic acid Formula: C19H28N2O5S MolecularWeight: 396.50102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)CN2CCC(CC2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(SC=C1)CN2CCC(CC2)C(=O)N3CCCCC3.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H26N2OS.C2H2O4/c1-14-7-12-21-16(14)13-18-10-5-15(6-11-18)17(20)19-8-3-2-4-9-19;3-1(4)2(5)6/h7,12,15H,2-6,8-11,13H2,1H3;(H,3,4)(H,5,6)