(6-carbamimidoylnaphthalen-2-yl) 3-[bis(azanyl)methylideneamino]benzoate; methanesulfonic acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 3-[bis(azanyl)methylideneamino]benzoate; methanesulfonic acid Openeye Name: (6-carbamimidoyl-2-naphthyl) 3-guanidinobenzoate; methanesulfonic acid CAS Name: 3-(diaminomethylideneamino)benzoic acid (6-carbamimidoyl-2-naphthalenyl) ester; methanesulfonic acid IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 3-(diaminomethylideneamino)benzoate; methanesulfonic acid Traditional Name: 3-guanidinobenzoic acid (6-amidino-2-naphthyl) ester; mesylic acid Formula: C21H25N5O8S2 MolecularWeight: 539.5819

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC(=C1)N=C(N)N)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC(=C1)N=C(N)N)C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N

InChI

InChI=1S/C19H17N5O2.2CH4O3S/c20-17(21)13-5-4-12-10-16(7-6-11(12)8-13)26-18(25)14-2-1-3-15(9-14)24-19(22)23;2*1-5(2,3)4/h1-10H,(H3,20,21)(H4,22,23,24);2*1H3,(H,2,3,4)