5-(butylsulfanylmethyl)-3-methyl-pyridin-1-ium-2-amine

Systemtic Name: 5-(butylsulfanylmethyl)-3-methyl-pyridin-1-ium-2-amine Openeye Name: 5-(butylsulfanylmethyl)-3-methyl-pyridin-1-ium-2-amine CAS Name: 5-[(butylthio)methyl]-3-methyl-2-pyridin-1-iumamine IUPAC Name: 5-(butylsulfanylmethyl)-3-methylpyridin-1-ium-2-amine Traditional Name: [5-[(butylthio)methyl]-3-methyl-pyridin-1-ium-2-yl]amine Formula: C11H19N2S+ MolecularWeight: 211.34696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC1=CC(=C([NH+]=C1)N)C

Isomeric SMILES

CCCCSCC1=CC(=C([NH+]=C1)N)C

InChI

InChI=1S/C11H18N2S/c1-3-4-5-14-8-10-6-9(2)11(12)13-7-10/h6-7H,3-5,8H2,1-2H3,(H2,12,13)/p+1