(6-carbamimidoylnaphthalen-2-yl) 4-[bis(azanyl)methylideneamino]benzoate; methane; sulfuric acid

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 4-[bis(azanyl)methylideneamino]benzoate; methane; sulfuric acid Openeye Name: (6-carbamimidoyl-2-naphthyl) 4-guanidinobenzoate; methane; sulfuric acid CAS Name: 4-(diaminomethylideneamino)benzoic acid (6-carbamimidoyl-2-naphthalenyl) ester; methane; sulfuric acid IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-(diaminomethylideneamino)benzoate; methane; sulfuric acid Traditional Name: 4-guanidinobenzoic acid (6-amidino-2-naphthyl) ester; methane; sulfuric acid Formula: C21H27N5O6S MolecularWeight: 477.53398

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Descriptors Computed from Structure

Canonical SMILES:

C.C.C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)N.OS(=O)(=O)O

Isomeric SMILES

C.C.C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)N.OS(=O)(=O)O

InChI

InChI=1S/C19H17N5O2.2CH4.H2O4S/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14)26-18(25)11-3-6-15(7-4-11)24-19(22)23;;;1-5(2,3)4/h1-10H,(H3,20,21)(H4,22,23,24);2*1H4;(H2,1,2,3,4)