(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[(1R)-1-thiophen-2-ylethyl]azanium

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[(1R)-1-thiophen-2-ylethyl]azanium Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium CAS Name: (2-ethoxycarbonyl-3-benzofuranyl)methyl-methyl-[(1R)-1-thiophen-2-ylethyl]ammonium IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[(1R)-1-thiophen-2-ylethyl]azanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-methyl-[(1R)-1-(2-thienyl)ethyl]ammonium Formula: C19H22NO3S+ MolecularWeight: 344.44788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)C(C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)[C@H](C)C3=CC=CS3

InChI

InChI=1S/C19H21NO3S/c1-4-22-19(21)18-15(14-8-5-6-9-16(14)23-18)12-20(3)13(2)17-10-7-11-24-17/h5-11,13H,4,12H2,1-3H3/p+1/t13-/m1/s1