3-piperidin-1-ium-1-ylpropyl benzoate

Systemtic Name: 3-piperidin-1-ium-1-ylpropyl benzoate Openeye Name: 3-piperidin-1-ium-1-ylpropyl benzoate CAS Name: benzoic acid 3-(1-piperidin-1-iumyl)propyl ester IUPAC Name: 3-piperidin-1-ium-1-ylpropyl benzoate Traditional Name: benzoic acid 3-piperidin-1-ium-1-ylpropyl ester Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO2/c17-15(14-8-3-1-4-9-14)18-13-7-12-16-10-5-2-6-11-16/h1,3-4,8-9H,2,5-7,10-13H2/p+1