1-(3-methylbut-2-enyl)pyridin-1-ium-3-carbonitrile; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 1-(3-methylbut-2-enyl)pyridin-1-ium-3-carbonitrile; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 1-(3-methylbut-2-enyl)pyridin-1-ium-3-carbonitrile citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-(3-methylbut-2-enyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 1-(3-methylbut-2-enyl)pyridin-1-ium-3-carbonitrile Traditional Name: 1-(3-methylbut-2-enyl)pyridin-1-ium-3-carbonitrile citrate Formula: C17H18N2O7-2 MolecularWeight: 362.33402

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[N+]1=CC=CC(=C1)C#N)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC(=CC[N+]1=CC=CC(=C1)C#N)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C11H13N2.C6H8O7/c1-10(2)5-7-13-6-3-4-11(8-12)9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,9H,7H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q+1;/p-3