1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(3-phenoxyphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(3-phenoxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(3-phenoxybenzyl)piperidin-1-ium-4-carboxylate Formula: C19H21NO3 MolecularWeight: 311.37494

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C19H21NO3/c21-19(22)16-9-11-20(12-10-16)14-15-5-4-8-18(13-15)23-17-6-2-1-3-7-17/h1-8,13,16H,9-12,14H2,(H,21,22)