2-piperidin-1-ium-1-ylethyl 2-methylbenzoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 2-methylbenzoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 2-methylbenzoate CAS Name: 2-methylbenzoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 2-methylbenzoate Traditional Name: 2-methylbenzoic acid 2-piperidin-1-ium-1-ylethyl ester Formula: C15H22NO2+ MolecularWeight: 248.34068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)OCC[NH+]2CCCCC2

Isomeric SMILES

CC1=CC=CC=C1C(=O)OCC[NH+]2CCCCC2

InChI

InChI=1S/C15H21NO2/c1-13-7-3-4-8-14(13)15(17)18-12-11-16-9-5-2-6-10-16/h3-4,7-8H,2,5-6,9-12H2,1H3/p+1