4-pyrrolidin-1-ium-1-ylbut-2-ynyl 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: 4-pyrrolidin-1-ium-1-ylbut-2-ynyl 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: 4-pyrrolidin-1-ium-1-ylbut-2-ynyl 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid 4-(1-pyrrolidin-1-iumyl)but-2-ynyl ester IUPAC Name: 4-pyrrolidin-1-ium-1-ylbut-2-ynyl 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid 4-pyrrolidin-1-ium-1-ylbut-2-ynyl ester Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC#CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

Isomeric SMILES

C1CC[NH+](C1)CC#CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C22H23NO3/c24-21(26-18-10-9-17-23-15-7-8-16-23)22(25,19-11-3-1-4-12-19)20-13-5-2-6-14-20/h1-6,11-14,25H,7-8,15-18H2/p+1