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

Systemtic Name: 2-oxidanylpropane-1,2,3-tricarboxylic acid; 1-pyridin-3-yl-N-[6-(2-pyrrolidin-1-ylethyl)-1,3-benzodioxol-5-yl]methanimine Openeye Name: citric acid; 1-(3-pyridyl)-N-[6-(2-pyrrolidin-1-ylethyl)-1,3-benzodioxol-5-yl]methanimine CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-(3-pyridinyl)-N-[6-[2-(1-pyrrolidinyl)ethyl]-1,3-benzodioxol-5-yl]methanimine IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 1-pyridin-3-yl-N-[6-(2-pyrrolidin-1-ylethyl)-1,3-benzodioxol-5-yl]methanimine Traditional Name: citric acid; 3-pyridylmethylene-[6-(2-pyrrolidinoethyl)-1,3-benzodioxol-5-yl]amine Formula: C25H29N3O9 MolecularWeight: 515.51246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)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(C1)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/C19H21N3O2.C6H8O7/c1-2-8-22(7-1)9-5-16-10-18-19(24-14-23-18)11-17(16)21-13-15-4-3-6-20-12-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-4,6,10-13H,1-2,5,7-9,14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)