5-[[bis(azanyl)methylideneamino]methyl]-3-(6-carbamimidoylnaphthalen-2-yl)furan-2-carboxylate; methanesulfonate

Systemtic Name: 5-[[bis(azanyl)methylideneamino]methyl]-3-(6-carbamimidoylnaphthalen-2-yl)furan-2-carboxylate; methanesulfonate Openeye Name: 3-(6-carbamimidoyl-2-naphthyl)-5-(guanidinomethyl)furan-2-carboxylate; methanesulfonate CAS Name: 3-(6-carbamimidoyl-2-naphthalenyl)-5-[(diaminomethylideneamino)methyl]-2-furancarboxylate; methanesulfonate IUPAC Name: 3-(6-carbamimidoylnaphthalen-2-yl)-5-[(diaminomethylideneamino)methyl]furan-2-carboxylate; methanesulfonate Traditional Name: 3-(6-amidino-2-naphthyl)-5-(guanidinomethyl)-2-furoate dimesylate Formula: C20H22N5O9S2-3 MolecularWeight: 540.54678

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=CC2=C(C=CC(=C2)C(=N)N)C=C1C3=C(OC(=C3)CN=C(N)N)C(=O)[O-]

Isomeric SMILES

CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=CC2=C(C=CC(=C2)C(=N)N)C=C1C3=C(OC(=C3)CN=C(N)N)C(=O)[O-]

InChI

InChI=1S/C18H17N5O3.2CH4O3S/c19-16(20)12-4-2-9-5-11(3-1-10(9)6-12)14-7-13(8-23-18(21)22)26-15(14)17(24)25;2*1-5(2,3)4/h1-7H,8H2,(H3,19,20)(H,24,25)(H4,21,22,23);2*1H3,(H,2,3,4)/p-3