N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]pyrimidin-2-amine

Systemtic Name: N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]pyrimidin-2-amine Openeye Name: N-[[2-[methyl-[2-(2-pyridyl)ethyl]amino]pyridin-1-ium-3-yl]methyl]pyrimidin-2-amine CAS Name: N-[[2-[methyl-[2-(2-pyridinyl)ethyl]amino]-3-pyridin-1-iumyl]methyl]-2-pyrimidinamine IUPAC Name: N-[[2-[methyl(2-pyridin-2-ylethyl)amino]pyridin-1-ium-3-yl]methyl]pyrimidin-2-amine Traditional Name: methyl-[2-(2-pyridyl)ethyl]-[3-[(2-pyrimidylamino)methyl]pyridin-1-ium-2-yl]amine Formula: C18H21N6+ MolecularWeight: 321.39954

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC3=NC=CC=N3

Isomeric SMILES

CN(CCC1=CC=CC=N1)C2=C(C=CC=[NH+]2)CNC3=NC=CC=N3

InChI

InChI=1S/C18H20N6/c1-24(13-8-16-7-2-3-9-19-16)17-15(6-4-10-20-17)14-23-18-21-11-5-12-22-18/h2-7,9-12H,8,13-14H2,1H3,(H,21,22,23)/p+1