[3-methoxy-5-(2-methylpropyl)-1-oxidanidyl-pyrazin-1-ium-2-yl]methyl ethanoate

Systemtic Name: [3-methoxy-5-(2-methylpropyl)-1-oxidanidyl-pyrazin-1-ium-2-yl]methyl ethanoate Openeye Name: (5-isobutyl-3-methoxy-1-oxido-pyrazin-1-ium-2-yl)methyl acetate CAS Name: acetic acid [3-methoxy-5-(2-methylpropyl)-1-oxido-2-pyrazin-1-iumyl]methyl ester IUPAC Name: [3-methoxy-5-(2-methylpropyl)-1-oxidopyrazin-1-ium-2-yl]methyl acetate Traditional Name: acetic acid (5-isobutyl-3-methoxy-1-oxido-pyrazin-1-ium-2-yl)methyl ester Formula: C12H18N2O4 MolecularWeight: 254.28232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C[N+](=C(C(=N1)OC)COC(=O)C)[O-]

Isomeric SMILES

CC(C)CC1=C[N+](=C(C(=N1)OC)COC(=O)C)[O-]

InChI

InChI=1S/C12H18N2O4/c1-8(2)5-10-6-14(16)11(7-18-9(3)15)12(13-10)17-4/h6,8H,5,7H2,1-4H3