2-(3-methylquinoxalin-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3-methylquinoxalin-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(3-methylquinoxalin-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(3-methyl-2-quinoxalinyl)thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(3-methylquinoxalin-2-yl)sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(3-methylquinoxalin-2-yl)thio]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C20H22N5OS+ MolecularWeight: 380.48658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H21N5OS/c1-15-20(23-17-7-3-2-6-16(17)22-15)27-14-19(26)25-12-10-24(11-13-25)18-8-4-5-9-21-18/h2-9H,10-14H2,1H3/p+1