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

Systemtic Name: [(2S)-1-but-3-enyl-1-methyl-pyrrolidin-1-ium-2-yl]methyl 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [(2S)-1-but-3-enyl-1-methyl-pyrrolidin-1-ium-2-yl]methyl 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(2S)-1-but-3-enyl-1-methyl-2-pyrrolidin-1-iumyl]methyl ester IUPAC Name: [(2S)-1-but-3-enyl-1-methylpyrrolidin-1-ium-2-yl]methyl 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(2S)-1-but-3-enyl-1-methyl-pyrrolidin-1-ium-2-yl]methyl ester Formula: C24H30NO3+ MolecularWeight: 380.4999

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCC=C

Isomeric SMILES

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

InChI

InChI=1S/C24H30NO3/c1-3-4-17-25(2)18-11-16-22(25)19-28-23(26)24(27,20-12-7-5-8-13-20)21-14-9-6-10-15-21/h3,5-10,12-15,22,27H,1,4,11,16-19H2,2H3/q+1/t22-,25?/m0/s1