5-[(1S)-1-[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]ethyl]furan-2-carboxylate

Systemtic Name: 5-[(1S)-1-[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]ethyl]furan-2-carboxylate Openeye Name: 5-[(1S)-1-[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]ethyl]furan-2-carboxylate CAS Name: 5-[(1S)-1-[methyl-(1-methyl-4-piperidin-1-iumyl)ammonio]ethyl]-2-furancarboxylate IUPAC Name: 5-[(1S)-1-[methyl-(1-methylpiperidin-1-ium-4-yl)azaniumyl]ethyl]furan-2-carboxylate Traditional Name: 5-[(1S)-1-[methyl-(1-methylpiperidin-1-ium-4-yl)ammonio]ethyl]-2-furoate Formula: C14H23N2O3+ MolecularWeight: 267.34402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(O1)C(=O)[O-])[NH+](C)C2CC[NH+](CC2)C

Isomeric SMILES

C[C@@H](C1=CC=C(O1)C(=O)[O-])[NH+](C)C2CC[NH+](CC2)C

InChI

InChI=1S/C14H22N2O3/c1-10(12-4-5-13(19-12)14(17)18)16(3)11-6-8-15(2)9-7-11/h4-5,10-11H,6-9H2,1-3H3,(H,17,18)/p+1/t10-/m0/s1