5-chloranyl-1-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione

Systemtic Name: 5-chloranyl-1-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Openeye Name: 5-chloro-1-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 5-chloro-1-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-chloro-1-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 5-chloro-1-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]isatin Formula: C18H17ClN3O3S+ MolecularWeight: 390.86388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=C(C=C3)Cl)C(=O)C2=O)C(=O)C4=CC=CS4

InChI

InChI=1S/C18H16ClN3O3S/c19-12-3-4-14-13(10-12)16(23)18(25)22(14)11-20-5-7-21(8-6-20)17(24)15-2-1-9-26-15/h1-4,9-10H,5-8,11H2/p+1