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2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium

2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium

Systemtic Name:2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium
Openeye Name:2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium
CAS Name:2-[(4-tert-butylphenyl)methylthio]-6-methyl-1H-benzimidazol-3-ium
IUPAC Name:2-[(4-tert-butylphenyl)methylsulfanyl]-6-methyl-1H-benzimidazol-3-ium
Traditional Name:2-[(4-tert-butylbenzyl)thio]-6-methyl-1H-benzimidazol-3-ium
Formula: C19H23N2S+
MolecularWeight: 311.46432
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC3=CC=C(C=C3)C(C)(C)C


Isomeric SMILES

CC1=CC2=C(C=C1)[NH+]=C(N2)SCC3=CC=C(C=C3)C(C)(C)C


InChI

InChI=1S/C19H22N2S/c1-13-5-10-16-17(11-13)21-18(20-16)22-12-14-6-8-15(9-7-14)19(2,3)4/h5-11H,12H2,1-4H3,(H,20,21)/p+1


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