[(2S,3S)-1-hexanoyloxy-5-methyl-2-oxidanyl-hexan-3-yl]-bis(phenylmethyl)azanium

Systemtic Name: [(2S,3S)-1-hexanoyloxy-5-methyl-2-oxidanyl-hexan-3-yl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(1S)-1-[(1S)-2-hexanoyloxy-1-hydroxy-ethyl]-3-methyl-butyl]ammonium CAS Name: [(2S,3S)-2-hydroxy-5-methyl-1-(1-oxohexoxy)hexan-3-yl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(2S,3S)-1-hexanoyloxy-2-hydroxy-5-methylhexan-3-yl]azanium Traditional Name: dibenzyl-[(1S)-1-[(1S)-2-caproyloxy-1-hydroxy-ethyl]-3-methyl-butyl]ammonium Formula: C27H40NO3+ MolecularWeight: 426.6114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39NO3/c1-4-5-8-17-27(30)31-21-26(29)25(18-22(2)3)28(19-23-13-9-6-10-14-23)20-24-15-11-7-12-16-24/h6-7,9-16,22,25-26,29H,4-5,8,17-21H2,1-3H3/p+1/t25-,26+/m0/s1