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

Systemtic Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(pyrazin-2-ylmethyl)azanium Openeye Name: (2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: (2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl-methyl-(2-pyrazinylmethyl)ammonium IUPAC Name: (2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: (2-esyl-3-phenethyl-imidazol-4-yl)methyl-methyl-(pyrazin-2-ylmethyl)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=CN=C3

Isomeric SMILES

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

InChI

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