methanesulfonate; (3-methylphenyl) 4-carbamimidoylbenzoate

Systemtic Name: methanesulfonate; (3-methylphenyl) 4-carbamimidoylbenzoate Openeye Name: methanesulfonate; m-tolyl 4-carbamimidoylbenzoate CAS Name: 4-carbamimidoylbenzoic acid (3-methylphenyl) ester; methanesulfonate IUPAC Name: methanesulfonate; (3-methylphenyl) 4-carbamimidoylbenzoate Traditional Name: 4-amidinobenzoic acid m-tolyl ester mesylate Formula: C16H17N2O5S- MolecularWeight: 349.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)C(=N)N.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)C(=N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C15H14N2O2.CH4O3S/c1-10-3-2-4-13(9-10)19-15(18)12-7-5-11(6-8-12)14(16)17;1-5(2,3)4/h2-9H,1H3,(H3,16,17);1H3,(H,2,3,4)/p-1