trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-[[5-(2-phenylethynyl)thiophen-2-yl]sulfonylamino]butyl]azanium

Systemtic Name: trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-[[5-(2-phenylethynyl)thiophen-2-yl]sulfonylamino]butyl]azanium Openeye Name: [(2R)-4-hydroxy-4-oxo-2-[[5-(2-phenylethynyl)-2-thienyl]sulfonylamino]butyl]-trimethyl-ammonium CAS Name: [(2R)-4-hydroxy-4-oxo-2-[[5-(2-phenylethynyl)-2-thiophenyl]sulfonylamino]butyl]-trimethylammonium IUPAC Name: [(2R)-4-hydroxy-4-oxo-2-[[5-(2-phenylethynyl)thiophen-2-yl]sulfonylamino]butyl]-trimethylazanium Traditional Name: [(2R)-4-hydroxy-4-keto-2-[[5-(2-phenylethynyl)-2-thienyl]sulfonylamino]butyl]-trimethyl-ammonium Formula: C19H23N2O4S2+ MolecularWeight: 407.52692

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)NS(=O)(=O)C1=CC=C(S1)C#CC2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)O)NS(=O)(=O)C1=CC=C(S1)C#CC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O4S2/c1-21(2,3)14-16(13-18(22)23)20-27(24,25)19-12-11-17(26-19)10-9-15-7-5-4-6-8-15/h4-8,11-12,16,20H,13-14H2,1-3H3/p+1/t16-/m1/s1