N5-(2-chloranyl-4,6-dimethyl-phenyl)pyridin-1-ium-2,5-diamine

Systemtic Name: N5-(2-chloranyl-4,6-dimethyl-phenyl)pyridin-1-ium-2,5-diamine Openeye Name: N5-(2-chloro-4,6-dimethyl-phenyl)pyridin-1-ium-2,5-diamine CAS Name: N5-(2-chloro-4,6-dimethylphenyl)pyridin-1-ium-2,5-diamine IUPAC Name: 5-N-(2-chloro-4,6-dimethylphenyl)pyridin-1-ium-2,5-diamine Traditional Name: (6-aminopyridin-1-ium-3-yl)-(2-chloro-4,6-dimethyl-phenyl)amine Formula: C13H15ClN3+ MolecularWeight: 248.7313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC2=C[NH+]=C(C=C2)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC2=C[NH+]=C(C=C2)N)C

InChI

InChI=1S/C13H14ClN3/c1-8-5-9(2)13(11(14)6-8)17-10-3-4-12(15)16-7-10/h3-7,17H,1-2H3,(H2,15,16)/p+1