[5-(2-methylpropyl)-3-methylsulfonyl-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl methanesulfonate

Systemtic Name: [5-(2-methylpropyl)-3-methylsulfonyl-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl methanesulfonate Openeye Name: (6-benzyloxy-5-isobutyl-3-methylsulfonyl-4-oxido-pyrazin-4-ium-2-yl)methyl methanesulfonate CAS Name: methanesulfonic acid [5-(2-methylpropyl)-3-methylsulfonyl-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methyl ester IUPAC Name: [5-(2-methylpropyl)-3-methylsulfonyl-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid (6-benzoxy-5-isobutyl-3-mesyl-4-oxido-pyrazin-4-ium-2-yl)methyl ester Formula: C18H24N2O7S2 MolecularWeight: 444.52236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)COS(=O)(=O)C)S(=O)(=O)C)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)COS(=O)(=O)C)S(=O)(=O)C)[O-]

InChI

InChI=1S/C18H24N2O7S2/c1-13(2)10-16-17(26-11-14-8-6-5-7-9-14)19-15(12-27-29(4,24)25)18(20(16)21)28(3,22)23/h5-9,13H,10-12H2,1-4H3