methyl 3-(4-methylpyrazin-4-ium-2-yl)propanoate

Systemtic Name: methyl 3-(4-methylpyrazin-4-ium-2-yl)propanoate Openeye Name: methyl 3-(4-methylpyrazin-4-ium-2-yl)propanoate CAS Name: 3-(4-methyl-2-pyrazin-4-iumyl)propanoic acid methyl ester IUPAC Name: methyl 3-(4-methylpyrazin-4-ium-2-yl)propanoate Traditional Name: 3-(4-methylpyrazin-4-ium-2-yl)propionic acid methyl ester Formula: C9H13N2O2+ MolecularWeight: 181.21172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=NC=C1)CCC(=O)OC

Isomeric SMILES

C[N+]1=CC(=NC=C1)CCC(=O)OC

InChI

InChI=1S/C9H13N2O2/c1-11-6-5-10-8(7-11)3-4-9(12)13-2/h5-7H,3-4H2,1-2H3/q+1