[(3S)-1-methyl-1-oct-2-ynyl-pyrrolidin-1-ium-3-yl]methyl 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: [(3S)-1-methyl-1-oct-2-ynyl-pyrrolidin-1-ium-3-yl]methyl 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [(3S)-1-methyl-1-oct-2-ynyl-pyrrolidin-1-ium-3-yl]methyl 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(3S)-1-methyl-1-oct-2-ynyl-3-pyrrolidin-1-iumyl]methyl ester IUPAC Name: [(3S)-1-methyl-1-oct-2-ynylpyrrolidin-1-ium-3-yl]methyl 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(3S)-1-methyl-1-oct-2-ynyl-pyrrolidin-1-ium-3-yl]methyl ester Formula: C28H36NO3+ MolecularWeight: 434.59034

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC[N+]1(CCC(C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C

Isomeric SMILES

CCCCCC#CC[N+]1(CC[C@@H](C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C

InChI

InChI=1S/C28H36NO3/c1-3-4-5-6-7-14-20-29(2)21-19-24(22-29)23-32-27(30)28(31,25-15-10-8-11-16-25)26-17-12-9-13-18-26/h8-13,15-18,24,31H,3-6,19-23H2,1-2H3/q+1/t24-,29?/m0/s1