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

Systemtic Name: 3-(4-chloranyl-2,5-dimethoxy-phenyl)sulfonyl-2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium Openeye Name: 2-benzyl-3-(4-chloro-2,5-dimethoxy-phenyl)sulfonyl-4,5-dihydro-1H-imidazol-3-ium CAS Name: 3-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: 2-benzyl-3-(4-chloro-2,5-dimethoxyphenyl)sulfonyl-4,5-dihydro-1H-imidazol-3-ium Traditional Name: 2-benzyl-1-(4-chloro-2,5-dimethoxy-phenyl)sulfonyl-2-imidazolin-1-ium Formula: C18H20ClN2O4S+ MolecularWeight: 395.8804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)[N+]2=C(NCC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1Cl)OC)S(=O)(=O)[N+]2=C(NCC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H19ClN2O4S/c1-24-15-12-17(16(25-2)11-14(15)19)26(22,23)21-9-8-20-18(21)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3/p+1