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

Systemtic Name: (2S)-1-[5-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-[5-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[5-methyl-4-(1-pyrrolidin-1-iumylmethyl)-2-furanyl]-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[5-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)furan-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[5-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)-2-furoyl]pyrrolidine-2-carboxylate Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)C(=O)N2CCCC2C(=O)[O-])C[NH+]3CCCC3

Isomeric SMILES

CC1=C(C=C(O1)C(=O)N2CCC[C@H]2C(=O)[O-])C[NH+]3CCCC3

InChI

InChI=1S/C16H22N2O4/c1-11-12(10-17-6-2-3-7-17)9-14(22-11)15(19)18-8-4-5-13(18)16(20)21/h9,13H,2-8,10H2,1H3,(H,20,21)/t13-/m0/s1