[1-methyl-1-(3-pyrrol-1-ylpropyl)pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [1-methyl-1-(3-pyrrol-1-ylpropyl)pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-methyl-1-(3-pyrrol-1-ylpropyl)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-[3-(1-pyrrolyl)propyl]-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-methyl-1-(3-pyrrol-1-ylpropyl)pyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [1-methyl-1-(3-pyrrol-1-ylpropyl)pyrrolidin-1-ium-3-yl] ester Formula: C22H27N2O3S2+ MolecularWeight: 431.59138

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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)CCCN4C=CC=C4

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCCN4C=CC=C4

InChI

InChI=1S/C22H27N2O3S2/c1-24(13-6-12-23-10-2-3-11-23)14-9-18(17-24)27-21(25)22(26,19-7-4-15-28-19)20-8-5-16-29-20/h2-5,7-8,10-11,15-16,18,26H,6,9,12-14,17H2,1H3/q+1