[2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)azanium

Systemtic Name: [2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Openeye Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: [2-(2-methoxyethylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl-methyl-(2-pyrazinylmethyl)ammonium IUPAC Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: [3-benzyl-2-(2-methoxyethylsulfonyl)imidazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C20H26N5O3S+ MolecularWeight: 416.51714

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CN=C(N1CC2=CC=CC=C2)S(=O)(=O)CCOC)CC3=NC=CN=C3

Isomeric SMILES

C[NH+](CC1=CN=C(N1CC2=CC=CC=C2)S(=O)(=O)CCOC)CC3=NC=CN=C3

InChI

InChI=1S/C20H25N5O3S/c1-24(15-18-12-21-8-9-22-18)16-19-13-23-20(29(26,27)11-10-28-2)25(19)14-17-6-4-3-5-7-17/h3-9,12-13H,10-11,14-16H2,1-2H3/p+1