2-(3,5-dimethyl-1-adamantyl)-1-(2-iodanylphenyl)guanidine chloride

Systemtic Name: 2-(3,5-dimethyl-1-adamantyl)-1-(2-iodanylphenyl)guanidine chloride Openeye Name: 2-(3,5-dimethyl-1-adamantyl)-1-(2-iodophenyl)guanidine chloride CAS Name: 2-(3,5-dimethyl-1-adamantyl)-1-(2-iodophenyl)guanidine chloride IUPAC Name: 2-(3,5-dimethyl-1-adamantyl)-1-(2-iodophenyl)guanidine chloride Traditional Name: 2-(3,5-dimethyl-1-adamantyl)-1-(2-iodophenyl)guanidine chloride Formula: C19H26ClIN3- MolecularWeight: 458.78731

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)N=C(N)NC4=CC=CC=C4I)C.[Cl-]

Isomeric SMILES

CC12CC3CC(C1)(CC(C3)(C2)N=C(N)NC4=CC=CC=C4I)C.[Cl-]

InChI

InChI=1S/C19H26IN3.ClH/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)23-16(21)22-15-6-4-3-5-14(15)20;/h3-6,13H,7-12H2,1-2H3,(H3,21,22,23);1H/p-1