4-[2-[(5-azanylpyridin-1-ium-2-yl)amino]ethyl]phenol

Systemtic Name: 4-[2-[(5-azanylpyridin-1-ium-2-yl)amino]ethyl]phenol Openeye Name: 4-[2-[(5-aminopyridin-1-ium-2-yl)amino]ethyl]phenol CAS Name: 4-[2-[(5-amino-2-pyridin-1-iumyl)amino]ethyl]phenol IUPAC Name: 4-[2-[(5-aminopyridin-1-ium-2-yl)amino]ethyl]phenol Traditional Name: 4-[2-[(5-aminopyridin-1-ium-2-yl)amino]ethyl]phenol Formula: C13H16N3O+ MolecularWeight: 230.28564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=[NH+]C=C(C=C2)N)O

Isomeric SMILES

C1=CC(=CC=C1CCNC2=[NH+]C=C(C=C2)N)O

InChI

InChI=1S/C13H15N3O/c14-11-3-6-13(16-9-11)15-8-7-10-1-4-12(17)5-2-10/h1-6,9,17H,7-8,14H2,(H,15,16)/p+1