2-(4-methylphthalazin-1-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(4-methylphthalazin-1-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 2-(4-methylphthalazin-1-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone CAS Name: 2-[(4-methyl-1-phthalazinyl)thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4-methylphthalazin-1-yl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 2-[(4-methylphthalazin-1-yl)thio]-1-(4-methylpiperazin-4-ium-1-yl)ethanone Formula: C16H21N4OS+ MolecularWeight: 317.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(C2=CC=CC=C12)SCC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=NN=C(C2=CC=CC=C12)SCC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H20N4OS/c1-12-13-5-3-4-6-14(13)16(18-17-12)22-11-15(21)20-9-7-19(2)8-10-20/h3-6H,7-11H2,1-2H3/p+1