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

Systemtic Name: 3-methyl-5-(phenylsulfanylmethyl)pyridin-1-ium-2-amine Openeye Name: 3-methyl-5-(phenylsulfanylmethyl)pyridin-1-ium-2-amine CAS Name: 3-methyl-5-[(phenylthio)methyl]-2-pyridin-1-iumamine IUPAC Name: 3-methyl-5-(phenylsulfanylmethyl)pyridin-1-ium-2-amine Traditional Name: [3-methyl-5-[(phenylthio)methyl]pyridin-1-ium-2-yl]amine Formula: C13H15N2S+ MolecularWeight: 231.3366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CC(=C1)CSC2=CC=CC=C2)N

Isomeric SMILES

CC1=C([NH+]=CC(=C1)CSC2=CC=CC=C2)N

InChI

InChI=1S/C13H14N2S/c1-10-7-11(8-15-13(10)14)9-16-12-5-3-2-4-6-12/h2-8H,9H2,1H3,(H2,14,15)/p+1