(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl-methyl-[(3-methyl-2-thienyl)methyl]ammonium CAS Name: (2-ethoxycarbonyl-3-benzofuranyl)methyl-methyl-[(3-methyl-2-thiophenyl)methyl]ammonium IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-methyl-[(3-methylthiophen-2-yl)methyl]azanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-methyl-[(3-methyl-2-thienyl)methyl]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)CC3=C(C=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH+](C)CC3=C(C=CS3)C

InChI

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