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

Systemtic Name: 2-[6-(4-chloranylphenoxy)hexyl]-1-cyano-3-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]guanidine Openeye Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]guanidine CAS Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-[1-(2-hydroxyethyl)-4-pyridin-1-iumyl]guanidine IUPAC Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]guanidine Traditional Name: 2-[6-(4-chlorophenoxy)hexyl]-1-cyano-3-[1-(2-hydroxyethyl)pyridin-1-ium-4-yl]guanidine Formula: C21H27ClN5O2+ MolecularWeight: 416.92438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN5O2/c22-18-5-7-20(8-6-18)29-16-4-2-1-3-11-24-21(25-17-23)26-19-9-12-27(13-10-19)14-15-28/h5-10,12-13,28H,1-4,11,14-16H2,(H,24,25)/p+1