2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium

Systemtic Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Openeye Name: 2-[(4-isopropylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium CAS Name: 2-[(4-propan-2-ylphenyl)methylthio]-1H-benzimidazol-3-ium IUPAC Name: 2-[(4-propan-2-ylphenyl)methylsulfanyl]-1H-benzimidazol-3-ium Traditional Name: 2-[(4-isopropylbenzyl)thio]-1H-benzimidazol-3-ium Formula: C17H19N2S+ MolecularWeight: 283.41116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CSC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C17H18N2S/c1-12(2)14-9-7-13(8-10-14)11-20-17-18-15-5-3-4-6-16(15)19-17/h3-10,12H,11H2,1-2H3,(H,18,19)/p+1