ethyl 2-[(2S,3S)-2-methyl-3-oxidanyl-1,1-bis(phenylmethyl)azetidin-1-ium-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2S,3S)-2-methyl-3-oxidanyl-1,1-bis(phenylmethyl)azetidin-1-ium-3-yl]ethanoate Openeye Name: ethyl 2-[(2S,3S)-1,1-dibenzyl-3-hydroxy-2-methyl-azetidin-1-ium-3-yl]acetate CAS Name: 2-[(2S,3S)-3-hydroxy-2-methyl-1,1-bis(phenylmethyl)-3-azetidin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2S,3S)-1,1-dibenzyl-3-hydroxy-2-methylazetidin-1-ium-3-yl]acetate Traditional Name: 2-[(2S,3S)-1,1-dibenzyl-3-hydroxy-2-methyl-azetidin-1-ium-3-yl]acetic acid ethyl ester Formula: C22H28NO3+ MolecularWeight: 354.46262

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1(C[N+](C1C)(CC2=CC=CC=C2)CC3=CC=CC=C3)O

Isomeric SMILES

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

InChI

InChI=1S/C22H28NO3/c1-3-26-21(24)14-22(25)17-23(18(22)2,15-19-10-6-4-7-11-19)16-20-12-8-5-9-13-20/h4-13,18,25H,3,14-17H2,1-2H3/q+1/t18-,22-/m0/s1