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

Systemtic Name: [3-cyclohexyloxy-5-(2-methylpropyl)-4-oxidanidyl-6-phenylmethoxy-pyrazin-4-ium-2-yl]methyl methanesulfonate Openeye Name: [6-benzyloxy-3-(cyclohexoxy)-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [3-cyclohexyloxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxy-2-pyrazin-4-iumyl]methyl ester IUPAC Name: [3-cyclohexyloxy-5-(2-methylpropyl)-4-oxido-6-phenylmethoxypyrazin-4-ium-2-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [6-benzoxy-3-(cyclohexoxy)-5-isobutyl-4-oxido-pyrazin-4-ium-2-yl]methyl ester Formula: C23H32N2O6S MolecularWeight: 464.57498

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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)OC3CCCCC3)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2)COS(=O)(=O)C)OC3CCCCC3)[O-]

InChI

InChI=1S/C23H32N2O6S/c1-17(2)14-21-22(29-15-18-10-6-4-7-11-18)24-20(16-30-32(3,27)28)23(25(21)26)31-19-12-8-5-9-13-19/h4,6-7,10-11,17,19H,5,8-9,12-16H2,1-3H3