1-(butylsulfanylmethyl)-N,N-dimethyl-pyridin-1-ium-4-amine

Systemtic Name: 1-(butylsulfanylmethyl)-N,N-dimethyl-pyridin-1-ium-4-amine Openeye Name: 1-(butylsulfanylmethyl)-N,N-dimethyl-pyridin-1-ium-4-amine CAS Name: 1-[(butylthio)methyl]-N,N-dimethyl-4-pyridin-1-iumamine IUPAC Name: 1-(butylsulfanylmethyl)-N,N-dimethylpyridin-1-ium-4-amine Traditional Name: [1-[(butylthio)methyl]pyridin-1-ium-4-yl]-dimethyl-amine Formula: C12H21N2S+ MolecularWeight: 225.37354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC[N+]1=CC=C(C=C1)N(C)C

Isomeric SMILES

CCCCSC[N+]1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C12H21N2S/c1-4-5-10-15-11-14-8-6-12(7-9-14)13(2)3/h6-9H,4-5,10-11H2,1-3H3/q+1