(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(pyrimidin-4-ylmethyl)azanium

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(pyrimidin-4-ylmethyl)azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(pyrimidin-4-ylmethyl)ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-methyl-(4-pyrimidinylmethyl)ammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-methyl-(pyrimidin-4-ylmethyl)azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(4-pyrimidylmethyl)ammonium Formula: C20H26N5O2S+ MolecularWeight: 400.51774

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=NC=NC=C3

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+](C)CC3=NC=NC=C3

InChI

InChI=1S/C20H25N5O2S/c1-3-28(26,27)20-22-13-19(15-24(2)14-18-9-11-21-16-23-18)25(20)12-10-17-7-5-4-6-8-17/h4-9,11,13,16H,3,10,12,14-15H2,1-2H3/p+1