1-butyl-1-(phenylcarbonyl)piperidin-1-ium-3-carboxylate

Systemtic Name: 1-butyl-1-(phenylcarbonyl)piperidin-1-ium-3-carboxylate Openeye Name: 1-benzoyl-1-butyl-piperidin-1-ium-3-carboxylate CAS Name: 1-benzoyl-1-butyl-3-piperidin-1-iumcarboxylate IUPAC Name: 1-benzoyl-1-butylpiperidin-1-ium-3-carboxylate Traditional Name: 1-benzoyl-1-butyl-piperidin-1-ium-3-carboxylate Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCCC(C1)C(=O)[O-])C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC[N+]1(CCCC(C1)C(=O)[O-])C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H23NO3/c1-2-3-11-18(12-7-10-15(13-18)17(20)21)16(19)14-8-5-4-6-9-14/h4-6,8-9,15H,2-3,7,10-13H2,1H3