[(3S)-1-methylpiperidin-1-ium-3-yl] 4-cyanobenzoate

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 4-cyanobenzoate Openeye Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(3S)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(3S)-1-methylpiperidin-1-ium-3-yl] ester Formula: C14H17N2O2+ MolecularWeight: 245.29698

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)OC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C14H16N2O2/c1-16-8-2-3-13(10-16)18-14(17)12-6-4-11(9-15)5-7-12/h4-7,13H,2-3,8,10H2,1H3/p+1/t13-/m0/s1