1-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]quinoxalin-2-one

Systemtic Name: 1-[2-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]quinoxalin-2-one Openeye Name: 1-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]quinoxalin-2-one CAS Name: 1-[2-[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-quinoxalinone IUPAC Name: 1-[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinoxalin-2-one Traditional Name: 1-[2-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-yl]-2-keto-ethyl]quinoxalin-2-one Formula: C19H20ClN4O2S+ MolecularWeight: 403.9057

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CN3C4=CC=CC=C4N=CC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)CN3C4=CC=CC=C4N=CC3=O

InChI

InChI=1S/C19H19ClN4O2S/c20-17-6-5-14(27-17)12-22-7-9-23(10-8-22)19(26)13-24-16-4-2-1-3-15(16)21-11-18(24)25/h1-6,11H,7-10,12-13H2/p+1