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

Systemtic Name: 4-methyl-1-(3-methylbut-2-enyl)pyridin-1-ium; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 4-methyl-1-(3-methylbut-2-enyl)pyridin-1-ium citrate CAS Name: 2-hydroxypropane-1,2,3-tricarboxylate; 4-methyl-1-(3-methylbut-2-enyl)pyridin-1-ium IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylate; 4-methyl-1-(3-methylbut-2-enyl)pyridin-1-ium Traditional Name: 4-methyl-1-(3-methylbut-2-enyl)pyridin-1-ium citrate Formula: C17H21NO7-2 MolecularWeight: 351.35114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC=C(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

CC1=CC=[N+](C=C1)CC=C(C)C.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C11H16N.C6H8O7/c1-10(2)4-7-12-8-5-11(3)6-9-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-6,8-9H,7H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/q+1;/p-3