2-[6-(4-chloranylphenoxy)hexyl]-1-cyano-3-(1-methylpyridin-1-ium-4-yl)guanidine

Systemtic Name: 2-[6-(4-chloranylphenoxy)hexyl]-1-cyano-3-(1-methylpyridin-1-ium-4-yl)guanidine Openeye Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-(1-methylpyridin-1-ium-4-yl)guanidine CAS Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-(1-methyl-4-pyridin-1-iumyl)guanidine IUPAC Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-(1-methylpyridin-1-ium-4-yl)guanidine Traditional Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-(1-methylpyridin-1-ium-4-yl)guanidine Formula: C20H25ClN5O+ MolecularWeight: 386.8984

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)NC(=NCCCCCCOC2=CC=C(C=C2)Cl)NC#N

Isomeric SMILES

C[N+]1=CC=C(C=C1)NC(=NCCCCCCOC2=CC=C(C=C2)Cl)NC#N

InChI

InChI=1S/C20H24ClN5O/c1-26-13-10-18(11-14-26)25-20(24-16-22)23-12-4-2-3-5-15-27-19-8-6-17(21)7-9-19/h6-11,13-14H,2-5,12,15H2,1H3,(H,23,24)/p+1