2-methyl-1-(4-methylphenyl)-3-piperidin-1-yl-propan-1-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-methyl-1-(4-methylphenyl)-3-piperidin-1-yl-propan-1-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 2-methyl-3-(1-piperidyl)-1-(p-tolyl)propan-1-one CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-methyl-1-(4-methylphenyl)-3-(1-piperidinyl)-1-propanone IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 2-methyl-1-(4-methylphenyl)-3-piperidin-1-ylpropan-1-one Traditional Name: citric acid; 2-methyl-3-piperidino-1-(p-tolyl)propan-1-one Formula: C22H31NO8 MolecularWeight: 437.48344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C(C)CN2CCCCC2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C16H23NO.C6H8O7/c1-13-6-8-15(9-7-13)16(18)14(2)12-17-10-4-3-5-11-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-9,14H,3-5,10-12H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)