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

Systemtic Name: 3-[(5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indol-1-yl)carbonylamino]propyl-dimethyl-azanium chloride Openeye Name: 3-[[5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carbonyl]amino]propyl-dimethyl-ammonium chloride CAS Name: 3-[[[5-chloro-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-1-indolyl]-oxomethyl]amino]propyl-dimethylammonium chloride IUPAC Name: 3-[[5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carbonyl]amino]propyl-dimethylazanium chloride Traditional Name: 3-[[5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carbonyl]amino]propyl-dimethyl-ammonium chloride Formula: C19H21Cl2N3O3S MolecularWeight: 444.351882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)N1C2=C(C=C(C=C2)Cl)C(=C1O)C(=O)C3=CC=CS3.[Cl-]

Isomeric SMILES

C[NH+](C)CCCNC(=O)N1C2=C(C=C(C=C2)Cl)C(=C1O)[14C](=O)C3=CC=CS3.[Cl-]

InChI

InChI=1S/C19H20ClN3O3S.ClH/c1-22(2)9-4-8-21-19(26)23-14-7-6-12(20)11-13(14)16(18(23)25)17(24)15-5-3-10-27-15;/h3,5-7,10-11,25H,4,8-9H2,1-2H3,(H,21,26);1H/i17+2;