methanesulfonate; (2-methoxyphenyl) 3-(4-carbamimidoylphenyl)propanoate

Systemtic Name: methanesulfonate; (2-methoxyphenyl) 3-(4-carbamimidoylphenyl)propanoate Openeye Name: methanesulfonate; (2-methoxyphenyl) 3-(4-carbamimidoylphenyl)propanoate CAS Name: 3-(4-carbamimidoylphenyl)propanoic acid (2-methoxyphenyl) ester; methanesulfonate IUPAC Name: methanesulfonate; (2-methoxyphenyl) 3-(4-carbamimidoylphenyl)propanoate Traditional Name: 3-(4-amidinophenyl)propionic acid (2-methoxyphenyl) ester mesylate Formula: C18H21N2O6S- MolecularWeight: 393.43414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(=O)CCC2=CC=C(C=C2)C(=N)N.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1OC(=O)CCC2=CC=C(C=C2)C(=N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H18N2O3.CH4O3S/c1-21-14-4-2-3-5-15(14)22-16(20)11-8-12-6-9-13(10-7-12)17(18)19;1-5(2,3)4/h2-7,9-10H,8,11H2,1H3,(H3,18,19);1H3,(H,2,3,4)/p-1