3-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-2-phenyl-4,5-dihydro-1H-imidazol-3-ium

Systemtic Name: 3-(5-bromanyl-2-ethoxy-phenyl)sulfonyl-2-phenyl-4,5-dihydro-1H-imidazol-3-ium Openeye Name: 3-(5-bromo-2-ethoxy-phenyl)sulfonyl-2-phenyl-4,5-dihydro-1H-imidazol-3-ium CAS Name: 3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: 3-(5-bromo-2-ethoxyphenyl)sulfonyl-2-phenyl-4,5-dihydro-1H-imidazol-3-ium Traditional Name: 1-(5-bromo-2-ethoxy-phenyl)sulfonyl-2-phenyl-2-imidazolin-1-ium Formula: C17H18BrN2O3S+ MolecularWeight: 410.30542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)[N+]2=C(NCC2)C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)S(=O)(=O)[N+]2=C(NCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H17BrN2O3S/c1-2-23-15-9-8-14(18)12-16(15)24(21,22)20-11-10-19-17(20)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3/p+1