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4-methoxy-3-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]benzaldehyde

4-methoxy-3-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]benzaldehyde

Systemtic Name:4-methoxy-3-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]benzaldehyde
Openeye Name:4-methoxy-3-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]benzaldehyde
CAS Name:4-methoxy-3-[[(6-methyl-1H-benzimidazol-3-ium-2-yl)thio]methyl]benzaldehyde
IUPAC Name:4-methoxy-3-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]benzaldehyde
Traditional Name:4-methoxy-3-[[(6-methyl-1H-benzimidazol-3-ium-2-yl)thio]methyl]benzaldehyde
Formula: C17H17N2O2S+
MolecularWeight: 313.39408
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C17H16N2O2S/c1-11-3-5-14-15(7-11)19-17(18-14)22-10-13-8-12(9-20)4-6-16(13)21-2/h3-9H,10H2,1-2H3,(H,18,19)/p+1


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