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

Systemtic Name: [(2S,3S)-1-acetyloxy-5-methyl-2-oxidanyl-hexan-3-yl]-bis(phenylmethyl)azanium Openeye Name: [(1S)-1-[(1S)-2-acetoxy-1-hydroxy-ethyl]-3-methyl-butyl]-dibenzyl-ammonium CAS Name: [(2S,3S)-1-acetyloxy-2-hydroxy-5-methylhexan-3-yl]-bis(phenylmethyl)ammonium IUPAC Name: [(2S,3S)-1-acetyloxy-2-hydroxy-5-methylhexan-3-yl]-dibenzylazanium Traditional Name: [(1S)-1-[(1S)-2-acetoxy-1-hydroxy-ethyl]-3-methyl-butyl]-dibenzyl-ammonium Formula: C23H32NO3+ MolecularWeight: 370.50508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO3/c1-18(2)14-22(23(26)17-27-19(3)25)24(15-20-10-6-4-7-11-20)16-21-12-8-5-9-13-21/h4-13,18,22-23,26H,14-17H2,1-3H3/p+1/t22-,23+/m0/s1