9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; 9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane Traditional Name: citric acid; 9-methoxy-3-methyl-9-phenyl-3-azabicyclo[3.3.1]nonane Formula: C22H31NO8 MolecularWeight: 437.48344

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CCCC(C1)C2(C3=CC=CC=C3)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN1CC2CCCC(C1)C2(C3=CC=CC=C3)OC.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C16H23NO.C6H8O7/c1-17-11-14-9-6-10-15(12-17)16(14,18-2)13-7-4-3-5-8-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-5,7-8,14-15H,6,9-12H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)