methanesulfonate; [4-(2-methoxy-2-oxidanylidene-ethyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: methanesulfonate; [4-(2-methoxy-2-oxidanylidene-ethyl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: methanesulfonate; [4-(2-methoxy-2-oxo-ethyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(2-methoxy-2-oxoethyl)phenyl] ester; methanesulfonate IUPAC Name: methanesulfonate; [4-(2-methoxy-2-oxoethyl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(2-keto-2-methoxy-ethyl)phenyl] ester mesylate Formula: C18H20N3O7S- MolecularWeight: 422.4323

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)[O-]

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H17N3O4.CH4O3S/c1-23-15(21)10-11-2-8-14(9-3-11)24-16(22)12-4-6-13(7-5-12)20-17(18)19;1-5(2,3)4/h2-9H,10H2,1H3,(H4,18,19,20);1H3,(H,2,3,4)/p-1