diethyl-[2-[2-[(3-methyl-1-benzofuran-2-yl)carbonyloxy]ethylsulfanyl]ethyl]azanium

Systemtic Name: diethyl-[2-[2-[(3-methyl-1-benzofuran-2-yl)carbonyloxy]ethylsulfanyl]ethyl]azanium Openeye Name: diethyl-[2-[2-(3-methylbenzofuran-2-carbonyl)oxyethylsulfanyl]ethyl]ammonium CAS Name: diethyl-[2-[2-[(3-methyl-2-benzofuranyl)-oxomethoxy]ethylthio]ethyl]ammonium IUPAC Name: diethyl-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)oxyethylsulfanyl]ethyl]azanium Traditional Name: diethyl-[2-[2-(3-methylbenzofuran-2-carbonyl)oxyethylthio]ethyl]ammonium Formula: C18H26NO3S+ MolecularWeight: 336.46894

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSCCOC(=O)C1=C(C2=CC=CC=C2O1)C

Isomeric SMILES

CC[NH+](CC)CCSCCOC(=O)C1=C(C2=CC=CC=C2O1)C

InChI

InChI=1S/C18H25NO3S/c1-4-19(5-2)10-12-23-13-11-21-18(20)17-14(3)15-8-6-7-9-16(15)22-17/h6-9H,4-5,10-13H2,1-3H3/p+1