2-chloranyl-3-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]-5-(pyrrolidin-2-ylmethoxy)pyridine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 2-chloranyl-3-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]-5-(pyrrolidin-2-ylmethoxy)pyridine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 2-chloro-3-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]-5-(pyrrolidin-2-ylmethoxy)pyridine; citric acid CAS Name: 2-chloro-3-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]-5-(2-pyrrolidinylmethoxy)pyridine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 2-chloro-3-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]-5-(pyrrolidin-2-ylmethoxy)pyridine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: 2-chloro-3-[(1E,3E)-5,5-dimethylhexa-1,3-dienyl]-5-(pyrrolidin-2-ylmethoxy)pyridine; citric acid Formula: C24H33ClN2O8 MolecularWeight: 512.98042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C=CC=CC1=CC(=CN=C1Cl)OCC2CCCN2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)/C=C/C=C/C1=CC(=CN=C1Cl)OCC2CCCN2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C18H25ClN2O.C6H8O7/c1-18(2,3)9-5-4-7-14-11-16(12-21-17(14)19)22-13-15-8-6-10-20-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-5,7,9,11-12,15,20H,6,8,10,13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b7-4+,9-5+;