3-(4-methylpiperidin-1-ium-1-yl)propyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: 3-(4-methyl-1-piperidin-1-iumyl)propyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[4-(methylthio)benzyl]ammonium Formula: C17H30N2S+2 MolecularWeight: 294.4985

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CCC[NH2+]CC2=CC=C(C=C2)SC

Isomeric SMILES

CC1CC[NH+](CC1)CCC[NH2+]CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H28N2S/c1-15-8-12-19(13-9-15)11-3-10-18-14-16-4-6-17(20-2)7-5-16/h4-7,15,18H,3,8-14H2,1-2H3/p+2