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

Systemtic Name: (2S,3S)-3-methyl-1,1,2-tris(phenylmethyl)azetidin-1-ium-3-ol chloride Openeye Name: (2S,3S)-1,1,2-tribenzyl-3-methyl-azetidin-1-ium-3-ol chloride CAS Name: (2S,3S)-3-methyl-1,1,2-tris(phenylmethyl)-3-azetidin-1-iumol chloride IUPAC Name: (2S,3S)-1,1,2-tribenzyl-3-methylazetidin-1-ium-3-ol chloride Traditional Name: (2S,3S)-1,1,2-tribenzyl-3-methyl-azetidin-1-ium-3-ol chloride Formula: C25H28ClNO MolecularWeight: 393.94892

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C[N+](C1CC2=CC=CC=C2)(CC3=CC=CC=C3)CC4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C[C@@]1(C[N+]([C@H]1CC2=CC=CC=C2)(CC3=CC=CC=C3)CC4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C25H28NO.ClH/c1-25(27)20-26(18-22-13-7-3-8-14-22,19-23-15-9-4-10-16-23)24(25)17-21-11-5-2-6-12-21;/h2-16,24,27H,17-20H2,1H3;1H/q+1;/p-1/t24-,25-;/m0./s1