3-(4-methylpiperazin-4-ium-1-yl)propyl-(3-methylsulfanylpropyl)azanium

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-(3-methylsulfanylpropyl)azanium Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-(3-methylsulfanylpropyl)ammonium CAS Name: 3-(4-methyl-1-piperazin-4-iumyl)propyl-[3-(methylthio)propyl]ammonium IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-(3-methylsulfanylpropyl)azanium Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)propyl-[3-(methylthio)propyl]ammonium Formula: C12H29N3S+2 MolecularWeight: 247.44376

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CCC[NH2+]CCCSC

Isomeric SMILES

C[NH+]1CCN(CC1)CCC[NH2+]CCCSC

InChI

InChI=1S/C12H27N3S/c1-14-8-10-15(11-9-14)7-3-5-13-6-4-12-16-2/h13H,3-12H2,1-2H3/p+2