ethyl 2-[2-azanyl-4-(2-chloranyl-4,6-dimethyl-phenyl)-1H-imidazol-3-ium-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-4-(2-chloranyl-4,6-dimethyl-phenyl)-1H-imidazol-3-ium-3-yl]ethanoate Openeye Name: ethyl 2-[2-amino-4-(2-chloro-4,6-dimethyl-phenyl)-1H-imidazol-3-ium-3-yl]acetate CAS Name: 2-[2-amino-4-(2-chloro-4,6-dimethylphenyl)-1H-imidazol-3-ium-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-4-(2-chloro-4,6-dimethylphenyl)-1H-imidazol-3-ium-3-yl]acetate Traditional Name: 2-[2-amino-4-(2-chloro-4,6-dimethyl-phenyl)-1H-imidazol-3-ium-3-yl]acetic acid ethyl ester Formula: C15H19ClN3O2+ MolecularWeight: 308.78326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(NC=C1C2=C(C=C(C=C2Cl)C)C)N

Isomeric SMILES

CCOC(=O)C[N+]1=C(NC=C1C2=C(C=C(C=C2Cl)C)C)N

InChI

InChI=1S/C15H18ClN3O2/c1-4-21-13(20)8-19-12(7-18-15(19)17)14-10(3)5-9(2)6-11(14)16/h5-7H,4,8H2,1-3H3,(H2,17,18)/p+1