dimethyl-[(1R)-2-[[3-(phenoxymethyl)-1-benzofuran-2-yl]carbonylamino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[[3-(phenoxymethyl)-1-benzofuran-2-yl]carbonylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: dimethyl-[(1R)-2-[[3-(phenoxymethyl)benzofuran-2-carbonyl]amino]-1-(2-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1R)-2-[[oxo-[3-(phenoxymethyl)-2-benzofuranyl]methyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[[3-(phenoxymethyl)-1-benzofuran-2-carbonyl]amino]-1-thiophen-2-ylethyl]azanium Traditional Name: dimethyl-[(1R)-2-[[3-(phenoxymethyl)benzofuran-2-carbonyl]amino]-1-(2-thienyl)ethyl]ammonium Formula: C24H25N2O3S+ MolecularWeight: 421.5319

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=C(C2=CC=CC=C2O1)COC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C24H24N2O3S/c1-26(2)20(22-13-8-14-30-22)15-25-24(27)23-19(16-28-17-9-4-3-5-10-17)18-11-6-7-12-21(18)29-23/h3-14,20H,15-16H2,1-2H3,(H,25,27)/p+1/t20-/m1/s1