2-piperidin-1-ium-1-ylethyl benzoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl benzoate Openeye Name: 2-piperidin-1-ium-1-ylethyl benzoate CAS Name: benzoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl benzoate Traditional Name: benzoic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C14H20NO2+ MolecularWeight: 234.3141

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CC[NH+](CC1)CCOC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H19NO2/c16-14(13-7-3-1-4-8-13)17-12-11-15-9-5-2-6-10-15/h1,3-4,7-8H,2,5-6,9-12H2/p+1