1-[bis(azanyl)methylidene]-2-octyl-guanidine; methanesulfonic acid

Systemtic Name: 1-[bis(azanyl)methylidene]-2-octyl-guanidine; methanesulfonic acid Openeye Name: 1-(diaminomethylene)-2-octyl-guanidine; methanesulfonic acid CAS Name: 1-(diaminomethylidene)-2-octylguanidine; methanesulfonic acid IUPAC Name: 1-(diaminomethylidene)-2-octylguanidine; methanesulfonic acid Traditional Name: 1-(diaminomethylene)-2-octyl-guanidine; mesylic acid Formula: C12H31N5O6S2 MolecularWeight: 405.53444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN=C(N)N=C(N)N.CS(=O)(=O)O.CS(=O)(=O)O

Isomeric SMILES

CCCCCCCCN=C(N)N=C(N)N.CS(=O)(=O)O.CS(=O)(=O)O

InChI

InChI=1S/C10H23N5.2CH4O3S/c1-2-3-4-5-6-7-8-14-10(13)15-9(11)12;2*1-5(2,3)4/h2-8H2,1H3,(H6,11,12,13,14,15);2*1H3,(H,2,3,4)