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

Systemtic Name: (2S,3S)-2-methyl-1,1-bis(phenylmethyl)-3-prop-2-enyl-azetidin-1-ium-3-ol chloride Openeye Name: (2S,3S)-3-allyl-1,1-dibenzyl-2-methyl-azetidin-1-ium-3-ol chloride CAS Name: (2S,3S)-2-methyl-1,1-bis(phenylmethyl)-3-prop-2-enyl-3-azetidin-1-iumol chloride IUPAC Name: (2S,3S)-1,1-dibenzyl-2-methyl-3-prop-2-enylazetidin-1-ium-3-ol chloride Traditional Name: (2S,3S)-3-allyl-1,1-dibenzyl-2-methyl-azetidin-1-ium-3-ol chloride Formula: C21H26ClNO MolecularWeight: 343.89024

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C[N+]1(CC2=CC=CC=C2)CC3=CC=CC=C3)(CC=C)O.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C21H26NO.ClH/c1-3-14-21(23)17-22(18(21)2,15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20;/h3-13,18,23H,1,14-17H2,2H3;1H/q+1;/p-1/t18-,21-;/m0./s1