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

Systemtic Name: (1-butyl-1-oxidanidyl-4-phenyl-piperidin-1-ium-4-yl) propanoate Openeye Name: (1-butyl-1-oxido-4-phenyl-piperidin-1-ium-4-yl) propanoate CAS Name: propanoic acid (1-butyl-1-oxido-4-phenyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-butyl-1-oxido-4-phenylpiperidin-1-ium-4-yl) propanoate Traditional Name: propionic acid (1-butyl-1-oxido-4-phenyl-piperidin-1-ium-4-yl) ester Formula: C18H27NO3 MolecularWeight: 305.41188

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCC(CC1)(C2=CC=CC=C2)OC(=O)CC)[O-]

Isomeric SMILES

CCCC[N+]1(CCC(CC1)(C2=CC=CC=C2)OC(=O)CC)[O-]

InChI

InChI=1S/C18H27NO3/c1-3-5-13-19(21)14-11-18(12-15-19,22-17(20)4-2)16-9-7-6-8-10-16/h6-10H,3-5,11-15H2,1-2H3