2-[3-(2-cyanoethyl)-2-methyl-imidazol-3-ium-1-yl]-4-oxidanyl-phenolate

Systemtic Name: 2-[3-(2-cyanoethyl)-2-methyl-imidazol-3-ium-1-yl]-4-oxidanyl-phenolate Openeye Name: 2-[3-(2-cyanoethyl)-2-methyl-imidazol-3-ium-1-yl]-4-hydroxy-phenolate CAS Name: 2-[3-(2-cyanoethyl)-2-methyl-1-imidazol-3-iumyl]-4-hydroxyphenolate IUPAC Name: 2-[3-(2-cyanoethyl)-2-methylimidazol-3-ium-1-yl]-4-hydroxyphenolate Traditional Name: 2-[3-(2-cyanoethyl)-2-methyl-imidazol-3-ium-1-yl]-4-hydroxy-phenolate Formula: C13H13N3O2 MolecularWeight: 243.26122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1C2=C(C=CC(=C2)O)[O-])CCC#N

Isomeric SMILES

CC1=[N+](C=CN1C2=C(C=CC(=C2)O)[O-])CCC#N

InChI

InChI=1S/C13H13N3O2/c1-10-15(6-2-5-14)7-8-16(10)12-9-11(17)3-4-13(12)18/h3-4,7-9H,2,6H2,1H3,(H-,17,18)