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

Systemtic Name: [6-[(2-chlorophenyl)methoxy]-3-methoxy-5-(2-methylpropyl)-4-oxidanidyl-pyrazin-4-ium-2-yl]methyl methanesulfonate Openeye Name: [6-[(2-chlorophenyl)methoxy]-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [6-[(2-chlorophenyl)methoxy]-3-methoxy-5-(2-methylpropyl)-4-oxido-2-pyrazin-4-iumyl]methyl ester IUPAC Name: [6-[(2-chlorophenyl)methoxy]-3-methoxy-5-(2-methylpropyl)-4-oxidopyrazin-4-ium-2-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [6-(2-chlorobenzyl)oxy-5-isobutyl-3-methoxy-4-oxido-pyrazin-4-ium-2-yl]methyl ester Formula: C18H23ClN2O6S MolecularWeight: 430.90302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2Cl)COS(=O)(=O)C)OC)[O-]

Isomeric SMILES

CC(C)CC1=[N+](C(=C(N=C1OCC2=CC=CC=C2Cl)COS(=O)(=O)C)OC)[O-]

InChI

InChI=1S/C18H23ClN2O6S/c1-12(2)9-16-17(26-10-13-7-5-6-8-14(13)19)20-15(11-27-28(4,23)24)18(25-3)21(16)22/h5-8,12H,9-11H2,1-4H3