methyl 2-methyl-5-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[(3-oxidanylidenepiperazin-1-ium-1-yl)methyl]furan-3-carboxylate Openeye Name: methyl 2-methyl-5-[(3-oxopiperazin-1-ium-1-yl)methyl]furan-3-carboxylate CAS Name: 2-methyl-5-[(3-oxo-1-piperazin-1-iumyl)methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[(3-oxopiperazin-1-ium-1-yl)methyl]furan-3-carboxylate Traditional Name: 5-[(3-ketopiperazin-1-ium-1-yl)methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C12H17N2O4+ MolecularWeight: 253.27438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C[NH+]2CCNC(=O)C2)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)C[NH+]2CCNC(=O)C2)C(=O)OC

InChI

InChI=1S/C12H16N2O4/c1-8-10(12(16)17-2)5-9(18-8)6-14-4-3-13-11(15)7-14/h5H,3-4,6-7H2,1-2H3,(H,13,15)/p+1