dimethyl-[(1S)-2-[[3-(phenoxymethyl)furan-2-yl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[[3-(phenoxymethyl)furan-2-yl]carbonylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[[3-(phenoxymethyl)furan-2-carbonyl]amino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[oxo-[3-(phenoxymethyl)-2-furanyl]methyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[[3-(phenoxymethyl)furan-2-carbonyl]amino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[[3-(phenoxymethyl)-2-furoyl]amino]-1-(3-thienyl)ethyl]ammonium Formula: C20H23N2O3S+ MolecularWeight: 371.47322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1=C(C=CO1)COC2=CC=CC=C2)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)C1=C(C=CO1)COC2=CC=CC=C2)C3=CSC=C3

InChI

InChI=1S/C20H22N2O3S/c1-22(2)18(16-9-11-26-14-16)12-21-20(23)19-15(8-10-24-19)13-25-17-6-4-3-5-7-17/h3-11,14,18H,12-13H2,1-2H3,(H,21,23)/p+1/t18-/m1/s1