1,5-bis(1,3-benzodioxol-5-yl)-N,N-dimethyl-pentan-3-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 1,5-bis(1,3-benzodioxol-5-yl)-N,N-dimethyl-pentan-3-amine; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: 1,5-bis(1,3-benzodioxol-5-yl)-N,N-dimethyl-pentan-3-amine; citric acid CAS Name: 1,5-bis(1,3-benzodioxol-5-yl)-N,N-dimethyl-3-pentanamine; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 1,5-bis(1,3-benzodioxol-5-yl)-N,N-dimethylpentan-3-amine; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: [3-(1,3-benzodioxol-5-yl)-1-homopiperonyl-propyl]-dimethyl-amine; citric acid Formula: C27H33NO11 MolecularWeight: 547.55102

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CCC1=CC2=C(C=C1)OCO2)CCC3=CC4=C(C=C3)OCO4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN(C)C(CCC1=CC2=C(C=C1)OCO2)CCC3=CC4=C(C=C3)OCO4.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C21H25NO4.C6H8O7/c1-22(2)17(7-3-15-5-9-18-20(11-15)25-13-23-18)8-4-16-6-10-19-21(12-16)26-14-24-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-6,9-12,17H,3-4,7-8,13-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)