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

Systemtic Name: ethyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-ethyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]ammonium CAS Name: ethyl-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-ethyl-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]azanium Traditional Name: benzyl-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]-ethyl-ammonium Formula: C23H30N3O2S+ MolecularWeight: 412.5682

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)CC

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CN=C(N2CCC3=CC=CC=C3)S(=O)(=O)CC

InChI

InChI=1S/C23H29N3O2S/c1-3-25(18-21-13-9-6-10-14-21)19-22-17-24-23(29(27,28)4-2)26(22)16-15-20-11-7-5-8-12-20/h5-14,17H,3-4,15-16,18-19H2,1-2H3/p+1