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

Systemtic Name: [(2R,3S)-1-chloranyl-5-methyl-2-oxidanyl-hexan-3-yl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[(1S)-1-[(1R)-2-chloro-1-hydroxy-ethyl]-3-methyl-butyl]ammonium CAS Name: [(2R,3S)-1-chloro-2-hydroxy-5-methylhexan-3-yl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[(2R,3S)-1-chloro-2-hydroxy-5-methylhexan-3-yl]azanium Traditional Name: dibenzyl-[(1S)-1-[(1R)-2-chloro-1-hydroxy-ethyl]-3-methyl-butyl]ammonium Formula: C21H29ClNO+ MolecularWeight: 346.91406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28ClNO/c1-17(2)13-20(21(24)14-22)23(15-18-9-5-3-6-10-18)16-19-11-7-4-8-12-19/h3-12,17,20-21,24H,13-16H2,1-2H3/p+1/t20-,21-/m0/s1