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

Systemtic Name: (2S)-1-(azepan-1-ium-1-yl)-3-butylsulfanyl-propan-2-ol Openeye Name: (2S)-1-(azepan-1-ium-1-yl)-3-butylsulfanyl-propan-2-ol CAS Name: (2S)-1-(1-azepan-1-iumyl)-3-(butylthio)-2-propanol IUPAC Name: (2S)-1-(azepan-1-ium-1-yl)-3-butylsulfanylpropan-2-ol Traditional Name: (2S)-1-(azepan-1-ium-1-yl)-3-(butylthio)propan-2-ol Formula: C13H28NOS+ MolecularWeight: 246.43252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(C[NH+]1CCCCCC1)O

Isomeric SMILES

CCCCSC[C@H](C[NH+]1CCCCCC1)O

InChI

InChI=1S/C13H27NOS/c1-2-3-10-16-12-13(15)11-14-8-6-4-5-7-9-14/h13,15H,2-12H2,1H3/p+1/t13-/m0/s1