2-[[(3S)-1-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-1-ium-3-yl]methoxy]-2-oxidanylidene-1,1-diphenyl-ethanolate

Systemtic Name: 2-[[(3S)-1-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-1-ium-3-yl]methoxy]-2-oxidanylidene-1,1-diphenyl-ethanolate Openeye Name: 2-[[(3S)-1-[(E)-cinnamyl]-1-methyl-pyrrolidin-1-ium-3-yl]methoxy]-2-oxo-1,1-diphenyl-ethanolate CAS Name: 2-[[(3S)-1-methyl-1-[(E)-3-phenylprop-2-enyl]-3-pyrrolidin-1-iumyl]methoxy]-2-oxo-1,1-diphenylethanolate IUPAC Name: 2-[[(3S)-1-methyl-1-[(E)-3-phenylprop-2-enyl]pyrrolidin-1-ium-3-yl]methoxy]-2-oxo-1,1-diphenylethanolate Traditional Name: 2-[[(3S)-1-[(E)-cinnamyl]-1-methyl-pyrrolidin-1-ium-3-yl]methoxy]-2-keto-1,1-diphenyl-ethanolate Formula: C29H31NO3 MolecularWeight: 441.56134

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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-])CC=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H31NO3/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/h2-18,25H,19-23H2,1H3/b14-11+/t25-,30?/m0/s1