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

Systemtic Name: [(3S)-1-methyl-1-(3-phenylpropyl)pyrrolidin-1-ium-3-yl]methyl 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: [(3S)-1-methyl-1-(3-phenylpropyl)pyrrolidin-1-ium-3-yl]methyl 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid [(3S)-1-methyl-1-(3-phenylpropyl)-3-pyrrolidin-1-iumyl]methyl ester IUPAC Name: [(3S)-1-methyl-1-(3-phenylpropyl)pyrrolidin-1-ium-3-yl]methyl 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid [(3S)-1-methyl-1-(3-phenylpropyl)pyrrolidin-1-ium-3-yl]methyl ester Formula: C29H34NO3+ MolecularWeight: 444.58516

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCC4=CC=CC=C4

Isomeric SMILES

C[N+]1(CC[C@@H](C1)COC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)CCCC4=CC=CC=C4

InChI

InChI=1S/C29H34NO3/c1-30(20-11-14-24-12-5-2-6-13-24)21-19-25(22-30)23-33-28(31)29(32,26-15-7-3-8-16-26)27-17-9-4-10-18-27/h2-10,12-13,15-18,25,32H,11,14,19-23H2,1H3/q+1/t25-,30?/m0/s1