ethyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-(2-methylprop-2-enyl)azanium

Systemtic Name: ethyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-(2-methylprop-2-enyl)azanium Openeye Name: ethyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-(2-methylallyl)ammonium CAS Name: ethyl-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-(2-methylprop-2-enyl)ammonium IUPAC Name: ethyl-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]-(2-methylprop-2-enyl)azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-ethyl-(2-methylallyl)ammonium Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CN=C(N1CCC2=CC=CC=C2)S(=O)(=O)CC)CC(=C)C

Isomeric SMILES

CC[NH+](CC1=CN=C(N1CCC2=CC=CC=C2)S(=O)(=O)CC)CC(=C)C

InChI

InChI=1S/C20H29N3O2S/c1-5-22(15-17(3)4)16-19-14-21-20(26(24,25)6-2)23(19)13-12-18-10-8-7-9-11-18/h7-11,14H,3,5-6,12-13,15-16H2,1-2,4H3/p+1