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

Systemtic Name: ethyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-(pyridin-4-ylmethyl)azanium Openeye Name: ethyl-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-(4-pyridylmethyl)ammonium CAS Name: ethyl-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-(pyridin-4-ylmethyl)ammonium IUPAC Name: ethyl-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]-(pyridin-4-ylmethyl)azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-ethyl-(4-pyridylmethyl)ammonium Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S/c1-3-25(17-20-10-13-23-14-11-20)18-21-16-24-22(29(27,28)4-2)26(21)15-12-19-8-6-5-7-9-19/h5-11,13-14,16H,3-4,12,15,17-18H2,1-2H3/p+1