[1-ethyl-1-[3-(3-oxidanylphenoxy)propyl]pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate

Systemtic Name: [1-ethyl-1-[3-(3-oxidanylphenoxy)propyl]pyrrolidin-1-ium-3-yl] 2-oxidanyl-2,2-dithiophen-2-yl-ethanoate Openeye Name: [1-ethyl-1-[3-(3-hydroxyphenoxy)propyl]pyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-bis(2-thienyl)acetate CAS Name: 2-hydroxy-2,2-dithiophen-2-ylacetic acid [1-ethyl-1-[3-(3-hydroxyphenoxy)propyl]-3-pyrrolidin-1-iumyl] ester IUPAC Name: [1-ethyl-1-[3-(3-hydroxyphenoxy)propyl]pyrrolidin-1-ium-3-yl] 2-hydroxy-2,2-dithiophen-2-ylacetate Traditional Name: 2-hydroxy-2,2-bis(2-thienyl)acetic acid [1-ethyl-1-[3-(3-hydroxyphenoxy)propyl]pyrrolidin-1-ium-3-yl] ester Formula: C25H30NO5S2+ MolecularWeight: 488.6394

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCCOC4=CC=CC(=C4)O

Isomeric SMILES

CC[N+]1(CCC(C1)OC(=O)C(C2=CC=CS2)(C3=CC=CS3)O)CCCOC4=CC=CC(=C4)O

InChI

InChI=1S/C25H29NO5S2/c1-2-26(12-6-14-30-20-8-3-7-19(27)17-20)13-11-21(18-26)31-24(28)25(29,22-9-4-15-32-22)23-10-5-16-33-23/h3-5,7-10,15-17,21,29H,2,6,11-14,18H2,1H3/p+1