1,2,3-tris[(E)-(4-azanyl-2-ethoxy-phenyl)methylideneamino]guanidine hydrochloride

Systemtic Name: 1,2,3-tris[(E)-(4-azanyl-2-ethoxy-phenyl)methylideneamino]guanidine hydrochloride Openeye Name: 1,2,3-tris[(E)-(4-amino-2-ethoxy-phenyl)methyleneamino]guanidine hydrochloride CAS Name: 1,2,3-tris[(E)-(4-amino-2-ethoxyphenyl)methylideneamino]guanidine hydrochloride IUPAC Name: 1,2,3-tris[(E)-(4-amino-2-ethoxyphenyl)methylideneamino]guanidine hydrochloride Traditional Name: 1,2,3-tris[(E)-(4-amino-2-ethoxy-benzylidene)amino]guanidine hydrochloride Formula: C28H36ClN9O3 MolecularWeight: 582.09694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)N)C=NNC(=NN=CC2=C(C=C(C=C2)N)OCC)NN=CC3=C(C=C(C=C3)N)OCC.Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)N)/C=N/NC(=N/N=C/C2=C(C=C(C=C2)N)OCC)N/N=C/C3=C(C=C(C=C3)N)OCC.Cl

InChI

InChI=1S/C28H35N9O3.ClH/c1-4-38-25-13-22(29)10-7-19(25)16-32-35-28(36-33-17-20-8-11-23(30)14-26(20)39-5-2)37-34-18-21-9-12-24(31)15-27(21)40-6-3;/h7-18H,4-6,29-31H2,1-3H3,(H2,35,36,37);1H/b32-16+,33-17+,34-18+;