(1-methyl-1-oxidanidyl-4-phenyl-piperidin-1-ium-4-yl) propanoate

Systemtic Name: (1-methyl-1-oxidanidyl-4-phenyl-piperidin-1-ium-4-yl) propanoate Openeye Name: (1-methyl-1-oxido-4-phenyl-piperidin-1-ium-4-yl) propanoate CAS Name: propanoic acid (1-methyl-1-oxido-4-phenyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-yl) propanoate Traditional Name: propionic acid (1-methyl-1-oxido-4-phenyl-piperidin-1-ium-4-yl) ester Formula: C15H21NO3 MolecularWeight: 263.33214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CC[N+](CC1)(C)[O-])C2=CC=CC=C2

Isomeric SMILES

CCC(=O)OC1(CC[N+](CC1)(C)[O-])C2=CC=CC=C2

InChI

InChI=1S/C15H21NO3/c1-3-14(17)19-15(13-7-5-4-6-8-13)9-11-16(2,18)12-10-15/h4-8H,3,9-12H2,1-2H3