5-(2-methyl-1H-imidazol-3-ium-3-yl)pentanoate

Systemtic Name: 5-(2-methyl-1H-imidazol-3-ium-3-yl)pentanoate Openeye Name: 5-(2-methyl-1H-imidazol-3-ium-3-yl)pentanoate CAS Name: 5-(2-methyl-1H-imidazol-3-ium-3-yl)pentanoate IUPAC Name: 5-(2-methyl-1H-imidazol-3-ium-3-yl)pentanoate Traditional Name: 5-(2-methyl-1H-imidazol-3-ium-3-yl)valerate Formula: C9H14N2O2 MolecularWeight: 182.21966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=CN1)CCCCC(=O)[O-]

Isomeric SMILES

CC1=[N+](C=CN1)CCCCC(=O)[O-]

InChI

InChI=1S/C9H14N2O2/c1-8-10-5-7-11(8)6-3-2-4-9(12)13/h5,7H,2-4,6H2,1H3,(H,12,13)