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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)S(=O)(=O)[N+]2=C(NCC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)S(=O)(=O)[N+]2=C(NCC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H17BrN2O3S/c1-23-15-8-7-14(18)12-16(15)24(21,22)20-10-9-19-17(20)11-13-5-3-2-4-6-13/h2-8,12H,9-11H2,1H3/p+1