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

Systemtic Name: 3-(5-chloranyl-2-methoxy-4-methyl-phenyl)sulfonyl-2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium Openeye Name: 2-benzyl-3-(5-chloro-2-methoxy-4-methyl-phenyl)sulfonyl-4,5-dihydro-1H-imidazol-3-ium CAS Name: 3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: 2-benzyl-3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-4,5-dihydro-1H-imidazol-3-ium Traditional Name: 2-benzyl-1-(5-chloro-2-methoxy-4-methyl-phenyl)sulfonyl-2-imidazolin-1-ium Formula: C18H20ClN2O3S+ MolecularWeight: 379.881

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S(=O)(=O)[N+]2=C(NCC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S(=O)(=O)[N+]2=C(NCC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C18H19ClN2O3S/c1-13-10-16(24-2)17(12-15(13)19)25(22,23)21-9-8-20-18(21)11-14-6-4-3-5-7-14/h3-7,10,12H,8-9,11H2,1-2H3/p+1