4-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]but-2-ynyl ethanoate

Systemtic Name: 4-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]but-2-ynyl ethanoate Openeye Name: 4-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]but-2-ynyl acetate CAS Name: acetic acid 4-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]but-2-ynyl ester IUPAC Name: 4-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]but-2-ynyl acetate Traditional Name: acetic acid 4-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]but-2-ynyl ester Formula: C14H15N2O2S+ MolecularWeight: 275.3461

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC#CCSC1=[N+](C2=CC=CC=C2N1)C

Isomeric SMILES

CC(=O)OCC#CCSC1=[N+](C2=CC=CC=C2N1)C

InChI

InChI=1S/C14H14N2O2S/c1-11(17)18-9-5-6-10-19-14-15-12-7-3-4-8-13(12)16(14)2/h3-4,7-8H,9-10H2,1-2H3/p+1