7-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-4-ethyl-1H-quinoxaline-2,3-dione

Systemtic Name: 7-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-4-ethyl-1H-quinoxaline-2,3-dione Openeye Name: 7-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione CAS Name: 7-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-ethyl-1H-quinoxaline-2,3-dione IUPAC Name: 7-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione Traditional Name: 7-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-quinone Formula: C20H22ClN4O3S+ MolecularWeight: 433.93168

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl)NC(=O)C1=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(S4)Cl)NC(=O)C1=O

InChI

InChI=1S/C20H21ClN4O3S/c1-2-25-16-5-3-13(11-15(16)22-18(26)20(25)28)19(27)24-9-7-23(8-10-24)12-14-4-6-17(21)29-14/h3-6,11H,2,7-10,12H2,1H3,(H,22,26)/p+1