[1-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-1-ium-3-yl] 2-oxidanyl-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoate

Systemtic Name: [1-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-1-ium-3-yl] 2-oxidanyl-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoate Openeye Name: [1-[(E)-cinnamyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-hydroxy-3-(2-thienyl)-2-(2-thienylmethyl)propanoate CAS Name: 2-hydroxy-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoic acid [1-methyl-1-[(E)-3-phenylprop-2-enyl]-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-1-ium-3-yl] 2-hydroxy-3-thiophen-2-yl-2-(thiophen-2-ylmethyl)propanoate Traditional Name: 2-hydroxy-2-(2-thenyl)-3-(2-thienyl)propionic acid [1-[(E)-cinnamyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C26H30NO3S2+ MolecularWeight: 468.6513

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(CC2=CC=CS2)(CC3=CC=CS3)O)CC=CC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(CC2=CC=CS2)(CC3=CC=CS3)O)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H30NO3S2/c1-27(14-5-10-21-8-3-2-4-9-21)15-13-22(20-27)30-25(28)26(29,18-23-11-6-16-31-23)19-24-12-7-17-32-24/h2-12,16-17,22,29H,13-15,18-20H2,1H3/q+1/b10-5+