methyl 2-phenyl-2-pyridin-1-ium-1-yl-butanoate

Systemtic Name: methyl 2-phenyl-2-pyridin-1-ium-1-yl-butanoate Openeye Name: methyl 2-phenyl-2-pyridin-1-ium-1-yl-butanoate CAS Name: 2-phenyl-2-(1-pyridin-1-iumyl)butanoic acid methyl ester IUPAC Name: methyl 2-phenyl-2-pyridin-1-ium-1-ylbutanoate Traditional Name: 2-phenyl-2-pyridin-1-ium-1-yl-butyric acid methyl ester Formula: C16H18NO2+ MolecularWeight: 256.31962

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)(C(=O)OC)[N+]2=CC=CC=C2

Isomeric SMILES

CCC(C1=CC=CC=C1)(C(=O)OC)[N+]2=CC=CC=C2

InChI

InChI=1S/C16H18NO2/c1-3-16(15(18)19-2,14-10-6-4-7-11-14)17-12-8-5-9-13-17/h4-13H,3H2,1-2H3/q+1