ethyl 2-[4-(1,3,5-triazin-2-yl)pyridin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(1,3,5-triazin-2-yl)pyridin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(1,3,5-triazin-2-yl)pyridin-1-ium-1-yl]acetate CAS Name: 2-[4-(1,3,5-triazin-2-yl)-1-pyridin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3,5-triazin-2-yl)pyridin-1-ium-1-yl]acetate Traditional Name: 2-[4-(s-triazin-2-yl)pyridin-1-ium-1-yl]acetic acid ethyl ester Formula: C12H13N4O2+ MolecularWeight: 245.25722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC=C(C=C1)C2=NC=NC=N2

Isomeric SMILES

CCOC(=O)C[N+]1=CC=C(C=C1)C2=NC=NC=N2

InChI

InChI=1S/C12H13N4O2/c1-2-18-11(17)7-16-5-3-10(4-6-16)12-14-8-13-9-15-12/h3-6,8-9H,2,7H2,1H3/q+1