methyl 2-[1-(diphenylmethyl)azetidin-1-ium-3-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-(diphenylmethyl)azetidin-1-ium-3-yl]sulfanylethanoate Openeye Name: methyl 2-(1-benzhydrylazetidin-1-ium-3-yl)sulfanylacetate CAS Name: 2-[[1-(diphenylmethyl)-3-azetidin-1-iumyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(1-benzhydrylazetidin-1-ium-3-yl)sulfanylacetate Traditional Name: 2-[(1-benzhydrylazetidin-1-ium-3-yl)thio]acetic acid methyl ester Formula: C19H22NO2S+ MolecularWeight: 328.44848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1C[NH+](C1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CSC1C[NH+](C1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H21NO2S/c1-22-18(21)14-23-17-12-20(13-17)19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17,19H,12-14H2,1H3/p+1