N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N-methyl-2-(2-phenylthiazol-4-yl)ethanamine CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-methyl-2-(2-phenyl-4-thiazolyl)ethanamine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-methyl-2-(2-phenyl-1,3-thiazol-4-yl)ethanamine Traditional Name: citric acid; methyl-[2-(2-phenylthiazol-4-yl)ethyl]amine Formula: C18H22N2O7S MolecularWeight: 410.44148

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Descriptors Computed from Structure

Canonical SMILES:

CNCCC1=CSC(=N1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CNCCC1=CSC(=N1)C2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C12H14N2S.C6H8O7/c1-13-8-7-11-9-15-12(14-11)10-5-3-2-4-6-10;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-6,9,13H,7-8H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)