2-oxidanylpropane-1,2,3-tricarboxylic acid; phenyl-[1-(2-piperidin-1-ylpropyl)pyrrolidin-2-yl]methanone

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; phenyl-[1-(2-piperidin-1-ylpropyl)pyrrolidin-2-yl]methanone Openeye Name: citric acid; phenyl-[1-[2-(1-piperidyl)propyl]pyrrolidin-2-yl]methanone CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; phenyl-[1-[2-(1-piperidinyl)propyl]-2-pyrrolidinyl]methanone IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; phenyl-[1-(2-piperidin-1-ylpropyl)pyrrolidin-2-yl]methanone Traditional Name: citric acid; phenyl-[1-(2-piperidinopropyl)pyrrolidin-2-yl]methanone Formula: C25H36N2O8 MolecularWeight: 492.56194

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCCC1C(=O)C2=CC=CC=C2)N3CCCCC3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(CN1CCCC1C(=O)C2=CC=CC=C2)N3CCCCC3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C19H28N2O.C6H8O7/c1-16(20-12-6-3-7-13-20)15-21-14-8-11-18(21)19(22)17-9-4-2-5-10-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4-5,9-10,16,18H,3,6-8,11-15H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)