(3S)-3-methyl-1-(2-phenylsulfanylethyl)piperidin-1-ium

Systemtic Name: (3S)-3-methyl-1-(2-phenylsulfanylethyl)piperidin-1-ium Openeye Name: (3S)-3-methyl-1-(2-phenylsulfanylethyl)piperidin-1-ium CAS Name: (3S)-3-methyl-1-[2-(phenylthio)ethyl]piperidin-1-ium IUPAC Name: (3S)-3-methyl-1-(2-phenylsulfanylethyl)piperidin-1-ium Traditional Name: (3S)-3-methyl-1-[2-(phenylthio)ethyl]piperidin-1-ium Formula: C14H22NS+ MolecularWeight: 236.39618

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCSC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCSC2=CC=CC=C2

InChI

InChI=1S/C14H21NS/c1-13-6-5-9-15(12-13)10-11-16-14-7-3-2-4-8-14/h2-4,7-8,13H,5-6,9-12H2,1H3/p+1/t13-/m0/s1