(2S,3S)-3-butyl-2-methyl-1,1-bis(phenylmethyl)azetidin-1-ium-3-ol chloride

Systemtic Name: (2S,3S)-3-butyl-2-methyl-1,1-bis(phenylmethyl)azetidin-1-ium-3-ol chloride Openeye Name: (2S,3S)-1,1-dibenzyl-3-butyl-2-methyl-azetidin-1-ium-3-ol chloride CAS Name: (2S,3S)-3-butyl-2-methyl-1,1-bis(phenylmethyl)-3-azetidin-1-iumol chloride IUPAC Name: (2S,3S)-1,1-dibenzyl-3-butyl-2-methylazetidin-1-ium-3-ol chloride Traditional Name: (2S,3S)-1,1-dibenzyl-3-butyl-2-methyl-azetidin-1-ium-3-ol chloride Formula: C22H30ClNO MolecularWeight: 359.9327

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C[N+](C1C)(CC2=CC=CC=C2)CC3=CC=CC=C3)O.[Cl-]

Isomeric SMILES

CCCC[C@@]1(C[N+]([C@H]1C)(CC2=CC=CC=C2)CC3=CC=CC=C3)O.[Cl-]

InChI

InChI=1S/C22H30NO.ClH/c1-3-4-15-22(24)18-23(19(22)2,16-20-11-7-5-8-12-20)17-21-13-9-6-10-14-21;/h5-14,19,24H,3-4,15-18H2,1-2H3;1H/q+1;/p-1/t19-,22-;/m0./s1