N-methyl-3-(5-methylthiophen-2-yl)-3-phenoxy-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: N-methyl-3-(5-methylthiophen-2-yl)-3-phenoxy-propan-1-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; N-methyl-3-(5-methyl-2-thienyl)-3-phenoxy-propan-1-amine CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-methyl-3-(5-methyl-2-thiophenyl)-3-phenoxy-1-propanamine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-methyl-3-(5-methylthiophen-2-yl)-3-phenoxypropan-1-amine Traditional Name: citric acid; methyl-[3-(5-methyl-2-thienyl)-3-phenoxy-propyl]amine Formula: C21H27NO8S MolecularWeight: 453.50598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(CCNC)OC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(S1)C(CCNC)OC2=CC=CC=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C15H19NOS.C6H8O7/c1-12-8-9-15(18-12)14(10-11-16-2)17-13-6-4-3-5-7-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,14,16H,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)