2-oxidanylpropane-1,2,3-tricarboxylic acid; N-[6-(2-piperidin-1-ylethyl)-1,3-benzodioxol-5-yl]-1-pyridin-3-yl-methanimine

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; N-[6-(2-piperidin-1-ylethyl)-1,3-benzodioxol-5-yl]-1-pyridin-3-yl-methanimine Openeye Name: citric acid; N-[6-[2-(1-piperidyl)ethyl]-1,3-benzodioxol-5-yl]-1-(3-pyridyl)methanimine CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-[6-[2-(1-piperidinyl)ethyl]-1,3-benzodioxol-5-yl]-1-(3-pyridinyl)methanimine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; N-[6-(2-piperidin-1-ylethyl)-1,3-benzodioxol-5-yl]-1-pyridin-3-ylmethanimine Traditional Name: citric acid; [6-(2-piperidinoethyl)-1,3-benzodioxol-5-yl]-(3-pyridylmethylene)amine Formula: C26H31N3O9 MolecularWeight: 529.53904

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC2=CC3=C(C=C2N=CC4=CN=CC=C4)OCO3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCC2=CC3=C(C=C2N=CC4=CN=CC=C4)OCO3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C20H23N3O2.C6H8O7/c1-2-8-23(9-3-1)10-6-17-11-19-20(25-15-24-19)12-18(17)22-14-16-5-4-7-21-13-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-5,7,11-14H,1-3,6,8-10,15H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)