methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-4-oxidanyl-benzoate

Systemtic Name: methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-4-oxidanyl-benzoate Openeye Name: methanesulfonate; 2-naphthyl 2-carbamimidoyl-4-hydroxy-benzoate CAS Name: 2-carbamimidoyl-4-hydroxybenzoic acid 2-naphthalenyl ester; methanesulfonate IUPAC Name: methanesulfonate; naphthalen-2-yl 2-carbamimidoyl-4-hydroxybenzoate Traditional Name: 2-amidino-4-hydroxy-benzoic acid 2-naphthyl ester mesylate Formula: C19H17N2O6S- MolecularWeight: 401.41308

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=C(C=C(C=C3)O)C(=N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C2C=C(C=CC2=C1)OC(=O)C3=C(C=C(C=C3)O)C(=N)N

InChI

InChI=1S/C18H14N2O3.CH4O3S/c19-17(20)16-10-13(21)6-8-15(16)18(22)23-14-7-5-11-3-1-2-4-12(11)9-14;1-5(2,3)4/h1-10,21H,(H3,19,20);1H3,(H,2,3,4)/p-1