3-(dithiophen-2-ylmethylidene)-1-methyl-piperidine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 3-(dithiophen-2-ylmethylidene)-1-methyl-piperidine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 3-[bis(2-thienyl)methylene]-1-methyl-piperidine; citric acid CAS Name: 3-(dithiophen-2-ylmethylidene)-1-methylpiperidine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 3-(dithiophen-2-ylmethylidene)-1-methylpiperidine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 3-[bis(2-thienyl)methylene]-1-methyl-piperidine; citric acid Formula: C21H25NO7S2 MolecularWeight: 467.5557

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(=C(C2=CC=CS2)C3=CC=CS3)C1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN1CCCC(=C(C2=CC=CS2)C3=CC=CS3)C1.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C15H17NS2.C6H8O7/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-4,6-7,9-10H,2,5,8,11H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)