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

Systemtic Name: 1-(1-azanylpyridin-1-ium-4-yl)-2-[6-(4-chloranylphenoxy)hexyl]-3-cyano-guanidine Openeye Name: 1-(1-aminopyridin-1-ium-4-yl)-2-[6-(4-chlorophenoxy)hexyl]-3-cyano-guanidine CAS Name: 1-(1-amino-4-pyridin-1-iumyl)-2-[6-(4-chlorophenoxy)hexyl]-3-cyanoguanidine IUPAC Name: 1-(1-aminopyridin-1-ium-4-yl)-2-[6-(4-chlorophenoxy)hexyl]-3-cyanoguanidine Traditional Name: 1-(1-aminopyridin-1-ium-4-yl)-2-[6-(4-chlorophenoxy)hexyl]-3-cyano-guanidine Formula: C19H24ClN6O+ MolecularWeight: 387.88646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23ClN6O/c20-16-5-7-18(8-6-16)27-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-26(22)13-10-17/h5-10,12-13H,1-4,11,14,22H2,(H,23,24)/p+1