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

Systemtic Name: 1-[1-(2-bromanylprop-2-enyl)pyridin-1-ium-4-yl]-2-[6-(4-chloranylphenoxy)hexyl]-3-cyano-guanidine Openeye Name: 1-[1-(2-bromoallyl)pyridin-1-ium-4-yl]-2-[6-(4-chlorophenoxy)hexyl]-3-cyano-guanidine CAS Name: 1-[1-(2-bromoprop-2-enyl)-4-pyridin-1-iumyl]-2-[6-(4-chlorophenoxy)hexyl]-3-cyanoguanidine IUPAC Name: 1-[1-(2-bromoprop-2-enyl)pyridin-1-ium-4-yl]-2-[6-(4-chlorophenoxy)hexyl]-3-cyanoguanidine Traditional Name: 1-[1-(2-bromoallyl)pyridin-1-ium-4-yl]-2-[6-(4-chlorophenoxy)hexyl]-3-cyano-guanidine Formula: C22H26BrClN5O+ MolecularWeight: 491.83174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrClN5O/c1-18(23)16-29-13-10-20(11-14-29)28-22(27-17-25)26-12-4-2-3-5-15-30-21-8-6-19(24)7-9-21/h6-11,13-14H,1-5,12,15-16H2,(H,26,27)/p+1