(E)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: (E)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: (E)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; (E)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)-3-hexen-1-one IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; (E)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one Traditional Name: (E)-1-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)hex-3-en-1-one citrate Formula: C18H24NO8-3 MolecularWeight: 382.38506

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(=O)C1=CCCN(C1)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC/C=C/CC(=O)C1=CCCN(C1)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C12H19NO.C6H8O7/c1-3-4-5-8-12(14)11-7-6-9-13(2)10-11;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-5,7H,3,6,8-10H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-3/b5-4+;