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

Systemtic Name: 3-(2-ethoxy-4-methyl-5-propan-2-yl-phenyl)sulfonyl-2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium Openeye Name: 2-benzyl-3-(2-ethoxy-5-isopropyl-4-methyl-phenyl)sulfonyl-4,5-dihydro-1H-imidazol-3-ium CAS Name: 3-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-(phenylmethyl)-4,5-dihydro-1H-imidazol-3-ium IUPAC Name: 2-benzyl-3-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-4,5-dihydro-1H-imidazol-3-ium Traditional Name: 2-benzyl-1-(2-ethoxy-5-isopropyl-4-methyl-phenyl)sulfonyl-2-imidazolin-1-ium Formula: C22H29N2O3S+ MolecularWeight: 401.54226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O3S/c1-5-27-20-13-17(4)19(16(2)3)15-21(20)28(25,26)24-12-11-23-22(24)14-18-9-7-6-8-10-18/h6-10,13,15-16H,5,11-12,14H2,1-4H3/p+1