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

Systemtic Name: 3-(5-chloranyl-2-ethoxy-4-methyl-phenyl)sulfonyl-2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium Openeye Name: 2-benzyl-3-(5-chloro-2-ethoxy-4-methyl-phenyl)sulfonyl-4,5-dihydro-1H-imidazol-3-ium CAS Name: 3-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: 2-benzyl-3-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-4,5-dihydro-1H-imidazol-3-ium Traditional Name: 2-benzyl-1-(5-chloro-2-ethoxy-4-methyl-phenyl)sulfonyl-2-imidazolin-1-ium Formula: C19H22ClN2O3S+ MolecularWeight: 393.90758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)[N+]2=C(NCC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C)Cl)S(=O)(=O)[N+]2=C(NCC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H21ClN2O3S/c1-3-25-17-11-14(2)16(20)13-18(17)26(23,24)22-10-9-21-19(22)12-15-7-5-4-6-8-15/h4-8,11,13H,3,9-10,12H2,1-2H3/p+1