3-[(5-chloranyl-2-oxidanylidene-3-thiophen-2-ylcarbonyl-3H-indol-1-yl)carbonylamino]propyl-trimethyl-azanium chloride

Systemtic Name: 3-[(5-chloranyl-2-oxidanylidene-3-thiophen-2-ylcarbonyl-3H-indol-1-yl)carbonylamino]propyl-trimethyl-azanium chloride Openeye Name: 3-[[5-chloro-2-oxo-3-(thiophene-2-carbonyl)indoline-1-carbonyl]amino]propyl-trimethyl-ammonium chloride CAS Name: 3-[[[5-chloro-2-oxo-3-[oxo(thiophen-2-yl)methyl]-3H-indol-1-yl]-oxomethyl]amino]propyl-trimethylammonium chloride IUPAC Name: 3-[[5-chloro-2-oxo-3-(thiophene-2-carbonyl)-3H-indole-1-carbonyl]amino]propyl-trimethylazanium chloride Traditional Name: 3-[[5-chloro-2-keto-3-(2-thenoyl)indoline-1-carbonyl]amino]propyl-trimethyl-ammonium chloride Formula: C20H23Cl2N3O3S MolecularWeight: 456.38592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCNC(=O)N1C2=C(C=C(C=C2)Cl)C(C1=O)C(=O)C3=CC=CS3.[Cl-]

Isomeric SMILES

C[N+](C)(C)CCCNC(=O)N1C2=C(C=C(C=C2)Cl)C(C1=O)C(=O)C3=CC=CS3.[Cl-]

InChI

InChI=1S/C20H22ClN3O3S.ClH/c1-24(2,3)10-5-9-22-20(27)23-15-8-7-13(21)12-14(15)17(19(23)26)18(25)16-6-4-11-28-16;/h4,6-8,11-12,17H,5,9-10H2,1-3H3;1H