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

Systemtic Name: 5-[(1S)-1-(4-methylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate Openeye Name: 5-[(1S)-1-(4-methylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-(4-methyl-1-piperazin-1-iumyl)ethyl]-2-furancarboxylate IUPAC Name: 5-[(1S)-1-(4-methylpiperazin-1-ium-1-yl)ethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-(4-methylpiperazin-1-ium-1-yl)ethyl]-2-furoate Formula: C12H18N2O3 MolecularWeight: 238.28292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3/c1-9(14-7-5-13(2)6-8-14)10-3-4-11(17-10)12(15)16/h3-4,9H,5-8H2,1-2H3,(H,15,16)/t9-/m0/s1