[(2S,3R)-3-oxidanyl-4-[(E)-3-phenylprop-2-enoyl]oxy-butan-2-yl]-bis(phenylmethyl)azanium

Systemtic Name: [(2S,3R)-3-oxidanyl-4-[(E)-3-phenylprop-2-enoyl]oxy-butan-2-yl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(1S,2R)-2-hydroxy-1-methyl-3-[(E)-3-phenylprop-2-enoyl]oxy-propyl]ammonium CAS Name: [(2S,3R)-3-hydroxy-4-[(E)-1-oxo-3-phenylprop-2-enoxy]butan-2-yl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(2S,3R)-3-hydroxy-4-[(E)-3-phenylprop-2-enoyl]oxybutan-2-yl]azanium Traditional Name: dibenzyl-[(1S,2R)-2-hydroxy-1-methyl-3-[(E)-3-phenylacryloyl]oxy-propyl]ammonium Formula: C27H30NO3+ MolecularWeight: 416.532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(COC(=O)C=CC1=CC=CC=C1)O)[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H]([C@H](COC(=O)/C=C/C1=CC=CC=C1)O)[NH+](CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C27H29NO3/c1-22(26(29)21-31-27(30)18-17-23-11-5-2-6-12-23)28(19-24-13-7-3-8-14-24)20-25-15-9-4-10-16-25/h2-18,22,26,29H,19-21H2,1H3/p+1/b18-17+/t22-,26-/m0/s1