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

Systemtic Name: 2-[6-(4-chloranylphenoxy)hexyl]-1-cyano-3-[1-(phenylmethyl)pyridin-1-ium-4-yl]guanidine Openeye Name: 1-(1-benzylpyridin-1-ium-4-yl)-2-[6-(4-chlorophenoxy)hexyl]-3-cyano-guanidine CAS Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-[1-(phenylmethyl)-4-pyridin-1-iumyl]guanidine IUPAC Name: 1-(1-benzylpyridin-1-ium-4-yl)-2-[6-(4-chlorophenoxy)hexyl]-3-cyanoguanidine Traditional Name: 1-(1-benzylpyridin-1-ium-4-yl)-2-[6-(4-chlorophenoxy)hexyl]-3-cyano-guanidine Formula: C26H29ClN5O+ MolecularWeight: 462.99436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)NC(=NCCCCCCOC3=CC=C(C=C3)Cl)NC#N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)NC(=NCCCCCCOC3=CC=C(C=C3)Cl)NC#N

InChI

InChI=1S/C26H28ClN5O/c27-23-10-12-25(13-11-23)33-19-7-2-1-6-16-29-26(30-21-28)31-24-14-17-32(18-15-24)20-22-8-4-3-5-9-22/h3-5,8-15,17-18H,1-2,6-7,16,19-20H2,(H,29,30)/p+1