[1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [1-methyl-1-(phenylmethyl)pyrrolidin-1-ium-3-yl] 2-cyclopentyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (1-benzyl-1-methyl-pyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclopentyl-2-hydroxy-2-phenylacetic acid [1-methyl-1-(phenylmethyl)-3-pyrrolidin-1-iumyl] ester IUPAC Name: (1-benzyl-1-methylpyrrolidin-1-ium-3-yl) 2-cyclopentyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclopentyl-2-hydroxy-2-phenyl-acetic acid (1-benzyl-1-methyl-pyrrolidin-1-ium-3-yl) ester Formula: C25H32NO3+ MolecularWeight: 394.52648

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CCC(C1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)O)CC4=CC=CC=C4

InChI

InChI=1S/C25H32NO3/c1-26(18-20-10-4-2-5-11-20)17-16-23(19-26)29-24(27)25(28,22-14-8-9-15-22)21-12-6-3-7-13-21/h2-7,10-13,22-23,28H,8-9,14-19H2,1H3/q+1