ethyl 2-(2,3-dimethylperimidin-3-ium-1-yl)ethanoate

Systemtic Name: ethyl 2-(2,3-dimethylperimidin-3-ium-1-yl)ethanoate Openeye Name: ethyl 2-(2,3-dimethylperimidin-3-ium-1-yl)acetate CAS Name: 2-(2,3-dimethyl-1-perimidin-3-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(2,3-dimethylperimidin-3-ium-1-yl)acetate Traditional Name: 2-(2,3-dimethylperimidin-3-ium-1-yl)acetic acid ethyl ester Formula: C17H19N2O2+ MolecularWeight: 283.34496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=[N+](C2=CC=CC3=C2C1=CC=C3)C)C

Isomeric SMILES

CCOC(=O)CN1C(=[N+](C2=CC=CC3=C2C1=CC=C3)C)C

InChI

InChI=1S/C17H19N2O2/c1-4-21-16(20)11-19-12(2)18(3)14-9-5-7-13-8-6-10-15(19)17(13)14/h5-10H,4,11H2,1-3H3/q+1