[1-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [1-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-[(E)-cinnamyl]-1-methyl-pyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic 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-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [1-[(E)-cinnamyl]-1-methyl-pyrrolidin-1-ium-3-yl] ester Formula: C24H26NO3S2+ MolecularWeight: 440.59814

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CC=CC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)C/C=C/C4=CC=CC=C4

InChI

InChI=1S/C24H26NO3S2/c1-25(14-5-10-19-8-3-2-4-9-19)15-13-20(18-25)28-23(26)24(27,21-11-6-16-29-21)22-12-7-17-30-22/h2-12,16-17,20,27H,13-15,18H2,1H3/q+1/b10-5+