N5-[4-(pyridin-4-ylmethyl)phenyl]pyridin-1-ium-2,5-diamine

Systemtic Name: N5-[4-(pyridin-4-ylmethyl)phenyl]pyridin-1-ium-2,5-diamine Openeye Name: N5-[4-(4-pyridylmethyl)phenyl]pyridin-1-ium-2,5-diamine CAS Name: N5-[4-(pyridin-4-ylmethyl)phenyl]pyridin-1-ium-2,5-diamine IUPAC Name: 5-N-[4-(pyridin-4-ylmethyl)phenyl]pyridin-1-ium-2,5-diamine Traditional Name: (6-aminopyridin-1-ium-3-yl)-[4-(4-pyridylmethyl)phenyl]amine Formula: C17H17N4+ MolecularWeight: 277.34368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)NC3=C[NH+]=C(C=C3)N

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)NC3=C[NH+]=C(C=C3)N

InChI

InChI=1S/C17H16N4/c18-17-6-5-16(12-20-17)21-15-3-1-13(2-4-15)11-14-7-9-19-10-8-14/h1-10,12,21H,11H2,(H2,18,20)/p+1