(2S)-1-[5-methyl-4-(piperidin-1-ium-1-ylmethyl)furan-2-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (2S)-1-[5-methyl-4-(piperidin-1-ium-1-ylmethyl)furan-2-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-[5-methyl-4-(piperidin-1-ium-1-ylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[5-methyl-4-(1-piperidin-1-iumylmethyl)-2-furanyl]-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[5-methyl-4-(piperidin-1-ium-1-ylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[5-methyl-4-(piperidin-1-ium-1-ylmethyl)-2-furoyl]pyrrolidine-2-carboxylate Formula: C17H24N2O4 MolecularWeight: 320.38346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)N2CCCC2C(=O)[O-])C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=C(O1)C(=O)N2CCC[C@H]2C(=O)[O-])C[NH+]3CCCCC3

InChI

InChI=1S/C17H24N2O4/c1-12-13(11-18-7-3-2-4-8-18)10-15(23-12)16(20)19-9-5-6-14(19)17(21)22/h10,14H,2-9,11H2,1H3,(H,21,22)/t14-/m0/s1