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4-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]but-2-yn-1-ol

4-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]but-2-yn-1-ol

Systemtic Name:4-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]but-2-yn-1-ol
Openeye Name:4-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]but-2-yn-1-ol
CAS Name:4-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]-2-butyn-1-ol
IUPAC Name:4-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]but-2-yn-1-ol
Traditional Name:4-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]but-2-yn-1-ol
Formula: C18H17N2OS+
MolecularWeight: 309.40538
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC#CCO


Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(NC3=CC=CC=C32)SCC#CCO


InChI

InChI=1S/C18H16N2OS/c21-12-6-7-13-22-18-19-16-10-4-5-11-17(16)20(18)14-15-8-2-1-3-9-15/h1-5,8-11,21H,12-14H2/p+1


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