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

Systemtic Name: methyl-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)imidazol-4-yl]methyl]-(pyrazin-2-ylmethyl)azanium Openeye Name: (3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl-methyl-(pyrazin-2-ylmethyl)ammonium CAS Name: methyl-[[2-(2-methylpropylsulfonyl)-3-(phenylmethyl)-4-imidazolyl]methyl]-(2-pyrazinylmethyl)ammonium IUPAC Name: [3-benzyl-2-(2-methylpropylsulfonyl)imidazol-4-yl]methyl-methyl-(pyrazin-2-ylmethyl)azanium Traditional Name: (3-benzyl-2-isobutylsulfonyl-imidazol-4-yl)methyl-methyl-(pyrazin-2-ylmethyl)ammonium Formula: C21H28N5O2S+ MolecularWeight: 414.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CC3=NC=CN=C3

Isomeric SMILES

CC(C)CS(=O)(=O)C1=NC=C(N1CC2=CC=CC=C2)C[NH+](C)CC3=NC=CN=C3

InChI

InChI=1S/C21H27N5O2S/c1-17(2)16-29(27,28)21-24-12-20(26(21)13-18-7-5-4-6-8-18)15-25(3)14-19-11-22-9-10-23-19/h4-12,17H,13-16H2,1-3H3/p+1