4-[4-methyl-6-[2-(1-oxidanylpyridin-1-ium-3-yl)ethylamino]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[4-methyl-6-[2-(1-oxidanylpyridin-1-ium-3-yl)ethylamino]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[4-[2-(1-hydroxypyridin-1-ium-3-yl)ethylamino]-6-methyl-pyrimidin-2-yl]benzonitrile CAS Name: 4-[4-[2-(1-hydroxy-3-pyridin-1-iumyl)ethylamino]-6-methyl-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[4-[2-(1-hydroxypyridin-1-ium-3-yl)ethylamino]-6-methylpyrimidin-2-yl]benzonitrile Traditional Name: 4-[4-[2-(1-hydroxypyridin-1-ium-3-yl)ethylamino]-6-methyl-pyrimidin-2-yl]benzonitrile Formula: C19H18N5O+ MolecularWeight: 332.37912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC=C(C=C2)C#N)NCCC3=C[N+](=CC=C3)O

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC=C(C=C2)C#N)NCCC3=C[N+](=CC=C3)O

InChI

InChI=1S/C19H18N5O/c1-14-11-18(21-9-8-16-3-2-10-24(25)13-16)23-19(22-14)17-6-4-15(12-20)5-7-17/h2-7,10-11,13,25H,8-9H2,1H3,(H,21,22,23)/q+1