[(2S,3S)-4-hexanoyloxy-3-oxidanyl-butan-2-yl]-bis(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-4-hexanoyloxy-3-oxidanyl-butan-2-yl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(1S,2S)-3-hexanoyloxy-2-hydroxy-1-methyl-propyl]ammonium CAS Name: [(2S,3S)-3-hydroxy-4-(1-oxohexoxy)butan-2-yl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(2S,3S)-4-hexanoyloxy-3-hydroxybutan-2-yl]azanium Traditional Name: dibenzyl-[(1S,2S)-3-caproyloxy-2-hydroxy-1-methyl-propyl]ammonium Formula: C24H34NO3+ MolecularWeight: 384.53166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(C(C)[NH+](CC1=CC=CC=C1)CC2=CC=CC=C2)O

Isomeric SMILES

CCCCCC(=O)OC[C@H]([C@H](C)[NH+](CC1=CC=CC=C1)CC2=CC=CC=C2)O

InChI

InChI=1S/C24H33NO3/c1-3-4-7-16-24(27)28-19-23(26)20(2)25(17-21-12-8-5-9-13-21)18-22-14-10-6-11-15-22/h5-6,8-15,20,23,26H,3-4,7,16-19H2,1-2H3/p+1/t20-,23+/m0/s1