methanesulfonate; (2-methoxyphenyl) (E)-3-(4-carbamimidoylphenyl)prop-2-enoate

Systemtic Name: methanesulfonate; (2-methoxyphenyl) (E)-3-(4-carbamimidoylphenyl)prop-2-enoate Openeye Name: methanesulfonate; (2-methoxyphenyl) (E)-3-(4-carbamimidoylphenyl)prop-2-enoate CAS Name: (E)-3-(4-carbamimidoylphenyl)-2-propenoic acid (2-methoxyphenyl) ester; methanesulfonate IUPAC Name: methanesulfonate; (2-methoxyphenyl) (E)-3-(4-carbamimidoylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-amidinophenyl)acrylic acid (2-methoxyphenyl) ester mesylate Formula: C18H19N2O6S- MolecularWeight: 391.41826

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(=O)C=CC2=CC=C(C=C2)C(=N)N.CS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O3.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/h2-11H,1H3,(H3,18,19);1H3,(H,2,3,4)/p-1/b11-8+;