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

Systemtic Name: (2S)-1-[5-[(4-methylpiperazin-1-ium-1-yl)methyl]furan-2-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: (2S)-1-[5-[(4-methylpiperazin-1-ium-1-yl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[5-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-furanyl]-oxomethyl]-2-pyrrolidinecarboxylate IUPAC Name: (2S)-1-[5-[(4-methylpiperazin-1-ium-1-yl)methyl]furan-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[5-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-furoyl]pyrrolidine-2-carboxylate Formula: C16H23N3O4 MolecularWeight: 321.37152

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC2=CC=C(O2)C(=O)N3CCCC3C(=O)[O-]

Isomeric SMILES

CN1CC[NH+](CC1)CC2=CC=C(O2)C(=O)N3CCC[C@H]3C(=O)[O-]

InChI

InChI=1S/C16H23N3O4/c1-17-7-9-18(10-8-17)11-12-4-5-14(23-12)15(20)19-6-2-3-13(19)16(21)22/h4-5,13H,2-3,6-11H2,1H3,(H,21,22)/t13-/m0/s1