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

Systemtic Name: ethyl 2-[2-azanyl-3-(2-bromanyl-4-propan-2-yl-phenyl)-4,5-dihydroimidazol-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[2-amino-3-(2-bromo-4-isopropyl-phenyl)-4,5-dihydroimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-amino-3-(2-bromo-4-propan-2-ylphenyl)-4,5-dihydroimidazol-1-ium-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-amino-3-(2-bromo-4-propan-2-ylphenyl)-4,5-dihydroimidazol-1-ium-1-yl]acetate Traditional Name: 2-[2-amino-3-(2-bromo-4-isopropyl-phenyl)-2-imidazolin-1-ium-1-yl]acetic acid ethyl ester Formula: C16H23BrN3O2+ MolecularWeight: 369.27672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrN3O2/c1-4-22-15(21)10-19-7-8-20(16(19)18)14-6-5-12(11(2)3)9-13(14)17/h5-6,9,11,18H,4,7-8,10H2,1-3H3/p+1