(2S)-1-butylsulfanyl-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-butylsulfanyl-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-butylsulfanyl-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(butylthio)-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-butylsulfanyl-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(butylthio)-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C12H26NOS+ MolecularWeight: 232.40594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(C[NH+]1CCCCC1)O

Isomeric SMILES

CCCCSC[C@H](C[NH+]1CCCCC1)O

InChI

InChI=1S/C12H25NOS/c1-2-3-9-15-11-12(14)10-13-7-5-4-6-8-13/h12,14H,2-11H2,1H3/p+1/t12-/m0/s1