(2-methylsulfanyl-6-pyrrol-1-yl-phenyl)methylazanium

Systemtic Name: (2-methylsulfanyl-6-pyrrol-1-yl-phenyl)methylazanium Openeye Name: (2-methylsulfanyl-6-pyrrol-1-yl-phenyl)methylammonium CAS Name: [2-(methylthio)-6-(1-pyrrolyl)phenyl]methylammonium IUPAC Name: (2-methylsulfanyl-6-pyrrol-1-ylphenyl)methylazanium Traditional Name: [2-(methylthio)-6-pyrrol-1-yl-benzyl]ammonium Formula: C12H15N2S+ MolecularWeight: 219.3259

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1C[NH3+])N2C=CC=C2

Isomeric SMILES

CSC1=CC=CC(=C1C[NH3+])N2C=CC=C2

InChI

InChI=1S/C12H14N2S/c1-15-12-6-4-5-11(10(12)9-13)14-7-2-3-8-14/h2-8H,9,13H2,1H3/p+1