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(phenylmethyl) 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoate

(phenylmethyl) 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoate

Systemtic Name:(phenylmethyl) 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoate
Openeye Name:benzyl 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetate
CAS Name:2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)thio]acetic acid (phenylmethyl) ester
IUPAC Name:benzyl 2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetate
Traditional Name:2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)thio]acetic acid benzyl ester
Formula: C17H17N2O3S+
MolecularWeight: 329.39348
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)OCC3=CC=CC=C3


Isomeric SMILES

COC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)OCC3=CC=CC=C3


InChI

InChI=1S/C17H16N2O3S/c1-21-13-7-8-14-15(9-13)19-17(18-14)23-11-16(20)22-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,19)/p+1


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