2-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxy-6-carbamimidoyl-naphthalene-1-carboxylic acid; methanesulfonic acid

Systemtic Name: 2-[4-[bis(azanyl)methylideneamino]phenyl]carbonyloxy-6-carbamimidoyl-naphthalene-1-carboxylic acid; methanesulfonic acid Openeye Name: 6-carbamimidoyl-2-(4-guanidinobenzoyl)oxy-naphthalene-1-carboxylic acid; methanesulfonic acid CAS Name: 6-carbamimidoyl-2-[[4-(diaminomethylideneamino)phenyl]-oxomethoxy]-1-naphthalenecarboxylic acid; methanesulfonic acid IUPAC Name: 6-carbamimidoyl-2-[4-(diaminomethylideneamino)benzoyl]oxynaphthalene-1-carboxylic acid; methanesulfonic acid Traditional Name: 6-amidino-2-(4-guanidinobenzoyl)oxy-1-naphthoic acid; mesylic acid Formula: C22H25N5O10S2 MolecularWeight: 583.5914

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)C(=O)O)N=C(N)N

Isomeric SMILES

CS(=O)(=O)O.CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)C(=O)O)N=C(N)N

InChI

InChI=1S/C20H17N5O4.2CH4O3S/c21-17(22)12-3-7-14-11(9-12)4-8-15(16(14)18(26)27)29-19(28)10-1-5-13(6-2-10)25-20(23)24;2*1-5(2,3)4/h1-9H,(H3,21,22)(H,26,27)(H4,23,24,25);2*1H3,(H,2,3,4)