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methyl 3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)benzoate

methyl 3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)benzoate

Systemtic Name:methyl 3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)benzoate
Openeye Name:methyl 3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)benzoate
CAS Name:3-[(1H-benzimidazol-3-ium-2-ylthio)methyl]benzoic acid methyl ester
IUPAC Name:methyl 3-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)benzoate
Traditional Name:3-[(1H-benzimidazol-3-ium-2-ylthio)methyl]benzoic acid methyl ester
Formula: C16H15N2O2S+
MolecularWeight: 299.3675
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C16H14N2O2S/c1-20-15(19)12-6-4-5-11(9-12)10-21-16-17-13-7-2-3-8-14(13)18-16/h2-9H,10H2,1H3,(H,17,18)/p+1


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