ethyl 2-(3-azanylimidazol-1-ium-1-yl)hexanoate

Systemtic Name: ethyl 2-(3-azanylimidazol-1-ium-1-yl)hexanoate Openeye Name: ethyl 2-(3-aminoimidazol-1-ium-1-yl)hexanoate CAS Name: 2-(3-amino-1-imidazol-1-iumyl)hexanoic acid ethyl ester IUPAC Name: ethyl 2-(3-aminoimidazol-1-ium-1-yl)hexanoate Traditional Name: 2-(3-aminoimidazol-1-ium-1-yl)hexanoic acid ethyl ester Formula: C11H20N3O2+ MolecularWeight: 226.2954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OCC)[N+]1=CN(C=C1)N

Isomeric SMILES

CCCCC(C(=O)OCC)[N+]1=CN(C=C1)N

InChI

InChI=1S/C11H20N3O2/c1-3-5-6-10(11(15)16-4-2)13-7-8-14(12)9-13/h7-10H,3-6,12H2,1-2H3/q+1