(6-carbamimidoylnaphthalen-2-yl) butanoate; methanesulfonate

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) butanoate; methanesulfonate Openeye Name: (6-carbamimidoyl-2-naphthyl) butanoate; methanesulfonate CAS Name: butanoic acid (6-carbamimidoyl-2-naphthalenyl) ester; methanesulfonate IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) butanoate; methanesulfonate Traditional Name: butyric acid (6-amidino-2-naphthyl) ester mesylate Formula: C16H19N2O5S- MolecularWeight: 351.39746

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(=N)N.CS(=O)(=O)[O-]

Isomeric SMILES

CCCC(=O)OC1=CC2=C(C=C1)C=C(C=C2)C(=N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C15H16N2O2.CH4O3S/c1-2-3-14(18)19-13-7-6-10-8-12(15(16)17)5-4-11(10)9-13;1-5(2,3)4/h4-9H,2-3H2,1H3,(H3,16,17);1H3,(H,2,3,4)/p-1