ethyl 2-[2-azanyl-3-(2-bromanyl-4,6-dimethyl-phenyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-azanyl-3-(2-bromanyl-4,6-dimethyl-phenyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-(2-bromo-4,6-dimethyl-phenyl)-4,5-dihydroimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-(2-bromo-4,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-(2-bromo-4,6-dimethylphenyl)-4,5-dihydroimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-(2-bromo-4,6-dimethyl-phenyl)-2-imidazolin-1-ium-1-yl]acetic acid ethyl ester Formula: C15H21BrN3O2+ MolecularWeight: 355.25014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(N(CC1)C2=C(C=C(C=C2Br)C)C)N

Isomeric SMILES

CCOC(=O)C[N+]1=C(N(CC1)C2=C(C=C(C=C2Br)C)C)N

InChI

InChI=1S/C15H20BrN3O2/c1-4-21-13(20)9-18-5-6-19(15(18)17)14-11(3)7-10(2)8-12(14)16/h7-8,17H,4-6,9H2,1-3H3/p+1