5-chloranyl-3-thiophen-2-ylcarbonyl-1-[3-(trimethylazaniumyl)propylcarbamoyl]indol-2-olate

Systemtic Name: 5-chloranyl-3-thiophen-2-ylcarbonyl-1-[3-(trimethylazaniumyl)propylcarbamoyl]indol-2-olate Openeye Name: 5-chloro-3-(thiophene-2-carbonyl)-1-[3-(trimethylammonio)propylcarbamoyl]indol-2-olate CAS Name: 5-chloro-3-[oxo(thiophen-2-yl)methyl]-1-[oxo-[3-(trimethylammonio)propylamino]methyl]-2-indololate IUPAC Name: 5-chloro-3-(thiophene-2-carbonyl)-1-[3-(trimethylazaniumyl)propylcarbamoyl]indol-2-olate Traditional Name: 5-chloro-3-(thiophene-2-carbonyl)-1-[3-(trimethylammonio)propylcarbamoyl]indol-2-olate Formula: C20H22ClN3O3S MolecularWeight: 421.917522

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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

Isomeric SMILES

C[N+](C)(C)CCCNC(=O)N1C2=C(C=C(C=C2)Cl)C(=C1[O-])[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)/i18+2