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

Systemtic Name: 2-[6-(4-chloranylphenoxy)hexyl]-1-cyano-3-[1-(cyanomethyl)pyridin-1-ium-4-yl]guanidine Openeye Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-[1-(cyanomethyl)pyridin-1-ium-4-yl]guanidine CAS Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-[1-(cyanomethyl)-4-pyridin-1-iumyl]guanidine IUPAC Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-[1-(cyanomethyl)pyridin-1-ium-4-yl]guanidine Traditional Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-[1-(cyanomethyl)pyridin-1-ium-4-yl]guanidine Formula: C21H24ClN6O+ MolecularWeight: 411.90786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=CC=[N+](C=C2)CC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1OCCCCCCN=C(NC#N)NC2=CC=[N+](C=C2)CC#N)Cl

InChI

InChI=1S/C21H23ClN6O/c22-18-5-7-20(8-6-18)29-16-4-2-1-3-12-25-21(26-17-24)27-19-9-13-28(14-10-19)15-11-23/h5-10,13-14H,1-4,12,15-16H2,(H,25,26)/p+1