3-[(2R)-2-methylpiperidin-1-ium-1-yl]propyl-[(4-methylsulfanylphenyl)methyl]azanium

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

CC1CCCC[NH+]1CCC[NH2+]CC2=CC=C(C=C2)SC

Isomeric SMILES

C[C@@H]1CCCC[NH+]1CCC[NH2+]CC2=CC=C(C=C2)SC

InChI

InChI=1S/C17H28N2S/c1-15-6-3-4-12-19(15)13-5-11-18-14-16-7-9-17(20-2)10-8-16/h7-10,15,18H,3-6,11-14H2,1-2H3/p+2/t15-/m1/s1