4-[4-[2-[methyl(pyridin-1-ium-2-yl)amino]ethoxy]phenyl]pyrimidin-2-amine

Systemtic Name: 4-[4-[2-[methyl(pyridin-1-ium-2-yl)amino]ethoxy]phenyl]pyrimidin-2-amine Openeye Name: 4-[4-[2-[methyl(pyridin-1-ium-2-yl)amino]ethoxy]phenyl]pyrimidin-2-amine CAS Name: 4-[4-[2-[methyl(2-pyridin-1-iumyl)amino]ethoxy]phenyl]-2-pyrimidinamine IUPAC Name: 4-[4-[2-[methyl(pyridin-1-ium-2-yl)amino]ethoxy]phenyl]pyrimidin-2-amine Traditional Name: 2-[4-(2-aminopyrimidin-4-yl)phenoxy]ethyl-methyl-pyridin-1-ium-2-yl-amine Formula: C18H20N5O+ MolecularWeight: 322.3843

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC1=CC=C(C=C1)C2=NC(=NC=C2)N)C3=CC=CC=[NH+]3

Isomeric SMILES

CN(CCOC1=CC=C(C=C1)C2=NC(=NC=C2)N)C3=CC=CC=[NH+]3

InChI

InChI=1S/C18H19N5O/c1-23(17-4-2-3-10-20-17)12-13-24-15-7-5-14(6-8-15)16-9-11-21-18(19)22-16/h2-11H,12-13H2,1H3,(H2,19,21,22)/p+1