(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[(1S)-2-methyl-1-thiophen-2-yl-propyl]azanium

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[(1S)-2-methyl-1-thiophen-2-yl-propyl]azanium Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl-[(1S)-2-methyl-1-(2-thienyl)propyl]ammonium CAS Name: (2-ethoxycarbonyl-3-benzofuranyl)methyl-[(1S)-2-methyl-1-thiophen-2-ylpropyl]ammonium IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-[(1S)-2-methyl-1-thiophen-2-ylpropyl]azanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-[(1S)-2-methyl-1-(2-thienyl)propyl]ammonium Formula: C20H24NO3S+ MolecularWeight: 358.47446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH2+]C(C3=CC=CS3)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)C[NH2+][C@H](C3=CC=CS3)C(C)C

InChI

InChI=1S/C20H23NO3S/c1-4-23-20(22)19-15(14-8-5-6-9-16(14)24-19)12-21-18(13(2)3)17-10-7-11-25-17/h5-11,13,18,21H,4,12H2,1-3H3/p+1/t18-/m0/s1