1-(furan-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-pyrazin-4-ium-2-carboxamide

Systemtic Name: 1-(furan-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-6-oxidanylidene-pyrazin-4-ium-2-carboxamide Openeye Name: 1-(2-furylmethyl)-5-isobutyl-3-methoxy-4-oxido-6-oxo-pyrazin-4-ium-2-carboxamide CAS Name: 1-(2-furanylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxo-2-pyrazin-4-iumcarboxamide IUPAC Name: 1-(furan-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-4-oxido-6-oxopyrazin-4-ium-2-carboxamide Traditional Name: 1-(2-furfuryl)-5-isobutyl-6-keto-3-methoxy-4-oxido-pyrazin-4-ium-2-carboxamide Formula: C15H19N3O5 MolecularWeight: 321.32846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N(C1=O)CC2=CC=CO2)C(=O)N)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N(C1=O)CC2=CC=CO2)C(=O)N)OC)[O-]

InChI

InChI=1S/C15H19N3O5/c1-9(2)7-11-14(20)17(8-10-5-4-6-23-10)12(13(16)19)15(22-3)18(11)21/h4-6,9H,7-8H2,1-3H3,(H2,16,19)