(1-methyl-1-prop-2-ynyl-pyrrolidin-1-ium-2-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (1-methyl-1-prop-2-ynyl-pyrrolidin-1-ium-2-yl) 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (1-methyl-1-prop-2-ynyl-pyrrolidin-1-ium-2-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid (1-methyl-1-prop-2-ynyl-2-pyrrolidin-1-iumyl) ester IUPAC Name: (1-methyl-1-prop-2-ynylpyrrolidin-1-ium-2-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1-methyl-1-propargyl-pyrrolidin-1-ium-2-yl) ester Formula: C21H28NO3+ MolecularWeight: 342.45192

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CC#C

Isomeric SMILES

C[N+]1(CCCC1OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CC#C

InChI

InChI=1S/C21H28NO3/c1-3-15-22(2)16-9-14-19(22)25-20(23)21(24,18-12-7-8-13-18)17-10-5-4-6-11-17/h1,4-6,10-11,18-19,24H,7-9,12-16H2,2H3/q+1