3-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]propan-1-amine

Systemtic Name: 3-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]propan-1-amine Openeye Name: 3-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]propan-1-amine CAS Name: 3-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-propanamine IUPAC Name: 3-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]propan-1-amine Traditional Name: 3-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]propylamine Formula: C11H16N3S+ MolecularWeight: 222.32984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCCCN

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCCCN

InChI

InChI=1S/C11H15N3S/c1-14-10-6-3-2-5-9(10)13-11(14)15-8-4-7-12/h2-3,5-6H,4,7-8,12H2,1H3/p+1