2-piperidin-1-ium-1-ylethyl 4-methylbenzoate

Systemtic Name: 2-piperidin-1-ium-1-ylethyl 4-methylbenzoate Openeye Name: 2-piperidin-1-ium-1-ylethyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 2-(1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-piperidin-1-ium-1-ylethyl 4-methylbenzoate Traditional Name: 4-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=C(C=C1)C(=O)OCC[NH+]2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCC[NH+]2CCCCC2

InChI

InChI=1S/C15H21NO2/c1-13-5-7-14(8-6-13)15(17)18-12-11-16-9-3-2-4-10-16/h5-8H,2-4,9-12H2,1H3/p+1