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

Systemtic Name: 5-chloranyl-3-thiophen-2-ylcarbonyl-1-[(trimethylazaniumyl)methylcarbamoyl]indol-2-olate Openeye Name: 5-chloro-3-(thiophene-2-carbonyl)-1-[(trimethylammonio)methylcarbamoyl]indol-2-olate CAS Name: 5-chloro-3-[oxo(thiophen-2-yl)methyl]-1-[oxo-[(trimethylammonio)methylamino]methyl]-2-indololate IUPAC Name: 5-chloro-3-(thiophene-2-carbonyl)-1-[(trimethylazaniumyl)methylcarbamoyl]indol-2-olate Traditional Name: 5-chloro-3-(2-thenoyl)-1-[(trimethylammonio)methylcarbamoyl]indol-2-olate Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O3S/c1-22(2,3)10-20-18(25)21-13-7-6-11(19)9-12(13)15(17(21)24)16(23)14-5-4-8-26-14/h4-9H,10H2,1-3H3,(H-,20,23,24,25)