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

Systemtic Name: 3-[(5-chloranyl-2-oxidanyl-3-thiophen-2-ylcarbonyl-indol-1-yl)carbonylamino]propyl-trimethyl-azanium Openeye Name: 3-[[5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carbonyl]amino]propyl-trimethyl-ammonium CAS Name: 3-[[[5-chloro-2-hydroxy-3-[oxo(thiophen-2-yl)methyl]-1-indolyl]-oxomethyl]amino]propyl-trimethylammonium IUPAC Name: 3-[[5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carbonyl]amino]propyl-trimethylazanium Traditional Name: 3-[[5-chloro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carbonyl]amino]propyl-trimethyl-ammonium Formula: C20H23ClN3O3S+ MolecularWeight: 422.925462

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O3S/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)/p+1/i18+2