1-(1-aminocarbonylpiperidin-4-yl)ethyl nitrate; 2-oxidanylpropane-1,2,3-tricarboxylic acid; hydrate

Systemtic Name: 1-(1-aminocarbonylpiperidin-4-yl)ethyl nitrate; 2-oxidanylpropane-1,2,3-tricarboxylic acid; hydrate Openeye Name: 1-(1-carbamoyl-4-piperidyl)ethyl nitrate; citric acid; hydrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; nitric acid 1-(1-carbamoyl-4-piperidinyl)ethyl ester; hydrate IUPAC Name: 1-(1-carbamoylpiperidin-4-yl)ethyl nitrate; 2-hydroxypropane-1,2,3-tricarboxylic acid; hydrate Traditional Name: citric acid; nitric acid 1-(1-carbamoyl-4-piperidyl)ethyl ester; hydrate Formula: C14H25N3O12 MolecularWeight: 427.3612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCN(CC1)C(=O)N)O[N+](=O)[O-].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

Isomeric SMILES

CC(C1CCN(CC1)C(=O)N)O[N+](=O)[O-].C(C(=O)O)C(CC(=O)O)(C(=O)O)O.O

InChI

InChI=1S/C8H15N3O4.C6H8O7.H2O/c1-6(15-11(13)14)7-2-4-10(5-3-7)8(9)12;7-3(8)1-6(13,5(11)12)2-4(9)10;/h6-7H,2-5H2,1H3,(H2,9,12);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2