methyl 5-methyl-4-[2-[(3R)-1-(2-methylpropyl)-5-oxidanylidene-pyrrolidin-3-yl]-1H-imidazol-3-ium-5-yl]furan-2-carboxylate

Systemtic Name: methyl 5-methyl-4-[2-[(3R)-1-(2-methylpropyl)-5-oxidanylidene-pyrrolidin-3-yl]-1H-imidazol-3-ium-5-yl]furan-2-carboxylate Openeye Name: methyl 4-[2-[(3R)-1-isobutyl-5-oxo-pyrrolidin-3-yl]-1H-imidazol-3-ium-5-yl]-5-methyl-furan-2-carboxylate CAS Name: 5-methyl-4-[2-[(3R)-1-(2-methylpropyl)-5-oxo-3-pyrrolidinyl]-1H-imidazol-3-ium-5-yl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-[2-[(3R)-1-(2-methylpropyl)-5-oxopyrrolidin-3-yl]-1H-imidazol-3-ium-5-yl]furan-2-carboxylate Traditional Name: 4-[2-[(3R)-1-isobutyl-5-keto-pyrrolidin-3-yl]-1H-imidazol-3-ium-5-yl]-5-methyl-furan-2-carboxylic acid methyl ester Formula: C18H24N3O4+ MolecularWeight: 346.40086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)OC)C2=C[NH+]=C(N2)C3CC(=O)N(C3)CC(C)C

Isomeric SMILES

CC1=C(C=C(O1)C(=O)OC)C2=C[NH+]=C(N2)[C@@H]3CC(=O)N(C3)CC(C)C

InChI

InChI=1S/C18H23N3O4/c1-10(2)8-21-9-12(5-16(21)22)17-19-7-14(20-17)13-6-15(18(23)24-4)25-11(13)3/h6-7,10,12H,5,8-9H2,1-4H3,(H,19,20)/p+1/t12-/m1/s1