(Z)-but-2-enedioic acid; (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (Z)-but-2-enedioic acid; (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate; maleic acid CAS Name: (Z)-2-butenedioic acid; 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1,1-dimethyl-3-pyrrolidin-1-iumyl) ester IUPAC Name: (Z)-but-2-enedioic acid; (1,1-dimethylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1,1-dimethylpyrrolidin-1-ium-3-yl) ester; maleic acid Formula: C23H32NO7+ MolecularWeight: 434.50268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)C.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C19H28NO3.C4H4O4/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;5-3(6)1-2-4(7)8/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/q+1;/b;2-1-