(1-ethynylcyclohexyl) 4-pyridin-1-ium-1-ylbutanoate

Systemtic Name: (1-ethynylcyclohexyl) 4-pyridin-1-ium-1-ylbutanoate Openeye Name: (1-ethynylcyclohexyl) 4-pyridin-1-ium-1-ylbutanoate CAS Name: 4-(1-pyridin-1-iumyl)butanoic acid (1-ethynylcyclohexyl) ester IUPAC Name: (1-ethynylcyclohexyl) 4-pyridin-1-ium-1-ylbutanoate Traditional Name: 4-pyridin-1-ium-1-ylbutyric acid (1-ethynylcyclohexyl) ester Formula: C17H22NO2+ MolecularWeight: 272.36208

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)OC(=O)CCC[N+]2=CC=CC=C2

Isomeric SMILES

C#CC1(CCCCC1)OC(=O)CCC[N+]2=CC=CC=C2

InChI

InChI=1S/C17H22NO2/c1-2-17(11-5-3-6-12-17)20-16(19)10-9-15-18-13-7-4-8-14-18/h1,4,7-8,13-14H,3,5-6,9-12,15H2/q+1