5-(2-methylpropyl)-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxylate

Systemtic Name: 5-(2-methylpropyl)-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxylate Openeye Name: 5-isobutyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxylate CAS Name: 5-(2-methylpropyl)-4-(1-pyrrolidin-1-iumylmethyl)-2-furancarboxylate IUPAC Name: 5-(2-methylpropyl)-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carboxylate Traditional Name: 5-isobutyl-4-(pyrrolidin-1-ium-1-ylmethyl)-2-furoate Formula: C14H21NO3 MolecularWeight: 251.32144

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCCC2

Isomeric SMILES

CC(C)CC1=C(C=C(O1)C(=O)[O-])C[NH+]2CCCC2

InChI

InChI=1S/C14H21NO3/c1-10(2)7-12-11(8-13(18-12)14(16)17)9-15-5-3-4-6-15/h8,10H,3-7,9H2,1-2H3,(H,16,17)