1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-(3-methylquinoxalin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-(3-methylquinoxalin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-(3-methylquinoxalin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-2-[(3-methyl-2-quinoxalinyl)thio]ethanone IUPAC Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-(3-methylquinoxalin-2-yl)sulfanylethanone Traditional Name: 1-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-[(3-methylquinoxalin-2-yl)thio]ethanone Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CCO

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CCO

InChI

InChI=1S/C17H22N4O2S/c1-13-17(19-15-5-3-2-4-14(15)18-13)24-12-16(23)21-8-6-20(7-9-21)10-11-22/h2-5,22H,6-12H2,1H3/p+1