3-[furan-2-ylmethyl(methyl)azaniumyl]propanoate

Systemtic Name: 3-[furan-2-ylmethyl(methyl)azaniumyl]propanoate Openeye Name: 3-[2-furylmethyl(methyl)ammonio]propanoate CAS Name: 3-[2-furanylmethyl(methyl)ammonio]propanoate IUPAC Name: 3-[furan-2-ylmethyl(methyl)azaniumyl]propanoate Traditional Name: 3-[2-furfuryl(methyl)ammonio]propionate Formula: C9H13NO3 MolecularWeight: 183.20442

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC(=O)[O-])CC1=CC=CO1

Isomeric SMILES

C[NH+](CCC(=O)[O-])CC1=CC=CO1

InChI

InChI=1S/C9H13NO3/c1-10(5-4-9(11)12)7-8-3-2-6-13-8/h2-3,6H,4-5,7H2,1H3,(H,11,12)