dimethyl-[(3R)-3-[(5-methyl-1-benzofuran-2-yl)carbonyloxy]butyl]azanium

Systemtic Name: dimethyl-[(3R)-3-[(5-methyl-1-benzofuran-2-yl)carbonyloxy]butyl]azanium Openeye Name: dimethyl-[(3R)-3-(5-methylbenzofuran-2-carbonyl)oxybutyl]ammonium CAS Name: dimethyl-[(3R)-3-[(5-methyl-2-benzofuranyl)-oxomethoxy]butyl]ammonium IUPAC Name: dimethyl-[(3R)-3-(5-methyl-1-benzofuran-2-carbonyl)oxybutyl]azanium Traditional Name: dimethyl-[(3R)-3-(5-methylbenzofuran-2-carbonyl)oxybutyl]ammonium Formula: C16H22NO3+ MolecularWeight: 276.35078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2)C(=O)OC(C)CC[NH+](C)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2)C(=O)O[C@H](C)CC[NH+](C)C

InChI

InChI=1S/C16H21NO3/c1-11-5-6-14-13(9-11)10-15(20-14)16(18)19-12(2)7-8-17(3)4/h5-6,9-10,12H,7-8H2,1-4H3/p+1/t12-/m1/s1