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

Systemtic Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Openeye Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]ammonium CAS Name: 3-(4-methyl-1-piperidin-1-iumyl)propyl-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium IUPAC Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Traditional Name: 3-(4-methylpiperidin-1-ium-1-yl)propyl-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium Formula: C18H32N2S+2 MolecularWeight: 308.52508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N2S/c1-15-9-13-20(14-10-15)12-4-11-19-16(2)17-5-7-18(21-3)8-6-17/h5-8,15-16,19H,4,9-14H2,1-3H3/p+2/t16-/m0/s1