2-methyl-1H-perimidin-3-ium ethanoate

Systemtic Name: 2-methyl-1H-perimidin-3-ium ethanoate Openeye Name: 2-methyl-1H-perimidin-3-ium acetate CAS Name: 2-methyl-1H-perimidin-3-ium acetate IUPAC Name: 2-methyl-1H-perimidin-3-ium acetate Traditional Name: 2-methyl-1H-perimidin-3-ium acetate Formula: C14H14N2O2 MolecularWeight: 242.27316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC3=C2C(=CC=C3)N1.CC(=O)[O-]

Isomeric SMILES

CC1=[NH+]C2=CC=CC3=C2C(=CC=C3)N1.CC(=O)[O-]

InChI

InChI=1S/C12H10N2.C2H4O2/c1-8-13-10-6-2-4-9-5-3-7-11(14-8)12(9)10;1-2(3)4/h2-7H,1H3,(H,13,14);1H3,(H,3,4)