ethynyl 4-pyridin-1-ium-1-ylbutanoate

Systemtic Name: ethynyl 4-pyridin-1-ium-1-ylbutanoate Openeye Name: ethynyl 4-pyridin-1-ium-1-ylbutanoate CAS Name: 4-(1-pyridin-1-iumyl)butanoic acid ethynyl ester IUPAC Name: ethynyl 4-pyridin-1-ium-1-ylbutanoate Traditional Name: 4-pyridin-1-ium-1-ylbutyric acid ethynyl ester Formula: C11H12NO2+ MolecularWeight: 190.21848

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Descriptors Computed from Structure

Canonical SMILES:

C#COC(=O)CCC[N+]1=CC=CC=C1

Isomeric SMILES

C#COC(=O)CCC[N+]1=CC=CC=C1

InChI

InChI=1S/C11H12NO2/c1-2-14-11(13)7-6-10-12-8-4-3-5-9-12/h1,3-5,8-9H,6-7,10H2/q+1