(2S)-3-methyl-2-[[5-[(4-methylpiperazin-1-ium-1-yl)methyl]furan-2-yl]carbonylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[[5-[(4-methylpiperazin-1-ium-1-yl)methyl]furan-2-yl]carbonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[[5-[(4-methylpiperazin-1-ium-1-yl)methyl]furan-2-carbonyl]amino]butanoate CAS Name: (2S)-3-methyl-2-[[[5-[(4-methyl-1-piperazin-1-iumyl)methyl]-2-furanyl]-oxomethyl]amino]butanoate IUPAC Name: (2S)-3-methyl-2-[[5-[(4-methylpiperazin-1-ium-1-yl)methyl]furan-2-carbonyl]amino]butanoate Traditional Name: (2S)-3-methyl-2-[[5-[(4-methylpiperazin-1-ium-1-yl)methyl]-2-furoyl]amino]butyrate Formula: C16H25N3O4 MolecularWeight: 323.3874

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)C

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)C1=CC=C(O1)C[NH+]2CCN(CC2)C

InChI

InChI=1S/C16H25N3O4/c1-11(2)14(16(21)22)17-15(20)13-5-4-12(23-13)10-19-8-6-18(3)7-9-19/h4-5,11,14H,6-10H2,1-3H3,(H,17,20)(H,21,22)/t14-/m0/s1