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

Systemtic Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-(3-methylsulfanylpropyl)azanium Openeye Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-(3-methylsulfanylpropyl)ammonium CAS Name: 3-(4-methyl-1-piperidin-1-iumyl)propyl-[3-(methylthio)propyl]ammonium IUPAC Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-(3-methylsulfanylpropyl)azanium Traditional Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[3-(methylthio)propyl]ammonium Formula: C13H30N2S+2 MolecularWeight: 246.4557

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC[NH2+]CCCSC

Isomeric SMILES

CC1CC[NH+](CC1)CCC[NH2+]CCCSC

InChI

InChI=1S/C13H28N2S/c1-13-5-10-15(11-6-13)9-3-7-14-8-4-12-16-2/h13-14H,3-12H2,1-2H3/p+2