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

Systemtic Name: 3-(2-methoxy-4-methyl-5-propan-2-yl-phenyl)sulfonyl-2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium Openeye Name: 2-benzyl-3-(5-isopropyl-2-methoxy-4-methyl-phenyl)sulfonyl-4,5-dihydro-1H-imidazol-3-ium CAS Name: 3-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: 2-benzyl-3-(2-methoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4,5-dihydro-1H-imidazol-3-ium Traditional Name: 2-benzyl-1-(5-isopropyl-2-methoxy-4-methyl-phenyl)sulfonyl-2-imidazolin-1-ium Formula: C21H27N2O3S+ MolecularWeight: 387.51568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)S(=O)(=O)[N+]2=C(NCC2)CC3=CC=CC=C3)OC

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)S(=O)(=O)[N+]2=C(NCC2)CC3=CC=CC=C3)OC

InChI

InChI=1S/C21H26N2O3S/c1-15(2)18-14-20(19(26-4)12-16(18)3)27(24,25)23-11-10-22-21(23)13-17-8-6-5-7-9-17/h5-9,12,14-15H,10-11,13H2,1-4H3/p+1