6-[4-(dimethylamino)piperidin-1-yl]carbonyl-3,4-dihydro-1H-quinolin-2-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid

Systemtic Name: 6-[4-(dimethylamino)piperidin-1-yl]carbonyl-3,4-dihydro-1H-quinolin-2-one; 2-oxidanylpropane-1,2,3-tricarboxylic acid Openeye Name: citric acid; 6-[4-(dimethylamino)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one CAS Name: 6-[[4-(dimethylamino)-1-piperidinyl]-oxomethyl]-3,4-dihydro-1H-quinolin-2-one; 2-hydroxypropane-1,2,3-tricarboxylic acid IUPAC Name: 6-[4-(dimethylamino)piperidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one; 2-hydroxypropane-1,2,3-tricarboxylic acid Traditional Name: citric acid; 6-[4-(dimethylamino)piperidine-1-carbonyl]-3,4-dihydrocarbostyril Formula: C29H39N3O16 MolecularWeight: 685.63046

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(=O)CC3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

Isomeric SMILES

CN(C)C1CCN(CC1)C(=O)C2=CC3=C(C=C2)NC(=O)CC3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChI

InChI=1S/C17H23N3O2.2C6H8O7/c1-19(2)14-7-9-20(10-8-14)17(22)13-3-5-15-12(11-13)4-6-16(21)18-15;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h3,5,11,14H,4,6-10H2,1-2H3,(H,18,21);2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)