benzoic acid; 2,3-bis(oxidanyl)butanedioic acid; 1-(2-diethylaminoethyl)-2,5-dimethyl-piperidin-4-ol

Systemtic Name: benzoic acid; 2,3-bis(oxidanyl)butanedioic acid; 1-(2-diethylaminoethyl)-2,5-dimethyl-piperidin-4-ol Openeye Name: benzoic acid; 1-(2-diethylaminoethyl)-2,5-dimethyl-piperidin-4-ol; 2,3-dihydroxybutanedioic acid CAS Name: benzoic acid; 1-(2-diethylaminoethyl)-2,5-dimethyl-4-piperidinol; 2,3-dihydroxybutanedioic acid IUPAC Name: benzoic acid; 1-(2-diethylaminoethyl)-2,5-dimethylpiperidin-4-ol; 2,3-dihydroxybutanedioic acid Traditional Name: benzoic acid; 1-(2-diethylaminoethyl)-2,5-dimethyl-piperidin-4-ol; tartaric acid Formula: C28H46N2O15 MolecularWeight: 650.66924

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1CC(C(CC1C)O)C.C1=CC=C(C=C1)C(=O)O.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O

Isomeric SMILES

CCN(CC)CCN1CC(C(CC1C)O)C.C1=CC=C(C=C1)C(=O)O.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O

InChI

InChI=1S/C13H28N2O.C7H6O2.2C4H6O6/c1-5-14(6-2)7-8-15-10-11(3)13(16)9-12(15)4;8-7(9)6-4-2-1-3-5-6;2*5-1(3(7)8)2(6)4(9)10/h11-13,16H,5-10H2,1-4H3;1-5H,(H,8,9);2*1-2,5-6H,(H,7,8)(H,9,10)