[(1S)-2-[[(2R)-5-chloranyl-2,3-dihydro-1-benzofuran-2-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[[(2R)-5-chloranyl-2,3-dihydro-1-benzofuran-2-yl]carbonylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[[(2R)-5-chloro-2,3-dihydrobenzofuran-2-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[[(2R)-5-chloro-2,3-dihydrobenzofuran-2-yl]-oxomethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[[(2R)-5-chloro-2,3-dihydro-1-benzofuran-2-carbonyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[[(2R)-5-chlorocoumaran-2-carbonyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C17H20ClN2O2S+ MolecularWeight: 351.8709

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C(CNC(=O)C1CC2=C(O1)C=CC(=C2)Cl)C3=CSC=C3

Isomeric SMILES

C[NH+](C)[C@H](CNC(=O)[C@H]1CC2=C(O1)C=CC(=C2)Cl)C3=CSC=C3

InChI

InChI=1S/C17H19ClN2O2S/c1-20(2)14(11-5-6-23-10-11)9-19-17(21)16-8-12-7-13(18)3-4-15(12)22-16/h3-7,10,14,16H,8-9H2,1-2H3,(H,19,21)/p+1/t14-,16-/m1/s1