(4-carbamimidoyl-2-methoxy-phenyl) 3-methylbutanoate; methanesulfonate

Systemtic Name: (4-carbamimidoyl-2-methoxy-phenyl) 3-methylbutanoate; methanesulfonate Openeye Name: (4-carbamimidoyl-2-methoxy-phenyl) 3-methylbutanoate; methanesulfonate CAS Name: methanesulfonate; 3-methylbutanoic acid (4-carbamimidoyl-2-methoxyphenyl) ester IUPAC Name: (4-carbamimidoyl-2-methoxyphenyl) 3-methylbutanoate; methanesulfonate Traditional Name: 3-methylbutyric acid (4-amidino-2-methoxy-phenyl) ester mesylate Formula: C14H21N2O6S- MolecularWeight: 345.39134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=C(C=C(C=C1)C(=N)N)OC.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)OC1=C(C=C(C=C1)C(=N)N)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C13H18N2O3.CH4O3S/c1-8(2)6-12(16)18-10-5-4-9(13(14)15)7-11(10)17-3;1-5(2,3)4/h4-5,7-8H,6H2,1-3H3,(H3,14,15);1H3,(H,2,3,4)/p-1