1-methyl-1-(2-phenoxybutanoyl)piperidin-1-ium-4-carboxylate

Systemtic Name: 1-methyl-1-(2-phenoxybutanoyl)piperidin-1-ium-4-carboxylate Openeye Name: 1-methyl-1-(2-phenoxybutanoyl)piperidin-1-ium-4-carboxylate CAS Name: 1-methyl-1-(1-oxo-2-phenoxybutyl)-4-piperidin-1-iumcarboxylate IUPAC Name: 1-methyl-1-(2-phenoxybutanoyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-methyl-1-(2-phenoxybutanoyl)piperidin-1-ium-4-carboxylate Formula: C17H23NO4 MolecularWeight: 305.36882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[N+]1(CCC(CC1)C(=O)[O-])C)OC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)[N+]1(CCC(CC1)C(=O)[O-])C)OC2=CC=CC=C2

InChI

InChI=1S/C17H23NO4/c1-3-15(22-14-7-5-4-6-8-14)16(19)18(2)11-9-13(10-12-18)17(20)21/h4-8,13,15H,3,9-12H2,1-2H3