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

Systemtic Name: 3-[(5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indol-1-yl)carbonylamino]propyl-trimethyl-azanium chloride Openeye Name: 3-[[5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carbonyl]amino]propyl-trimethyl-ammonium chloride CAS Name: 3-[[[5-chloro-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-1-indolyl]-oxomethyl]amino]propyl-trimethylammonium chloride IUPAC Name: 3-[[5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carbonyl]amino]propyl-trimethylazanium chloride Traditional Name: 3-[[5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carbonyl]amino]propyl-trimethyl-ammonium chloride Formula: C20H23Cl2N3O3S MolecularWeight: 458.378462

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(=C1O)C(=O)C3=CC=CS3.[Cl-]

Isomeric SMILES

C[N+](C)(C)CCCNC(=O)N1C2=C(C=C(C=C2)Cl)C(=C1O)[14C](=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;/h4,6-8,11-12H,5,9-10H2,1-3H3,(H-,22,25,26,27);1H/i18+2;