1-[3-(piperidin-1-ium-1-ylmethyl)-4-propoxy-phenyl]ethanone

Systemtic Name: 1-[3-(piperidin-1-ium-1-ylmethyl)-4-propoxy-phenyl]ethanone Openeye Name: 1-[3-(piperidin-1-ium-1-ylmethyl)-4-propoxy-phenyl]ethanone CAS Name: 1-[3-(1-piperidin-1-iumylmethyl)-4-propoxyphenyl]ethanone IUPAC Name: 1-[3-(piperidin-1-ium-1-ylmethyl)-4-propoxyphenyl]ethanone Traditional Name: 1-[3-(piperidin-1-ium-1-ylmethyl)-4-propoxy-phenyl]ethanone Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCCCC2

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCCCC2

InChI

InChI=1S/C17H25NO2/c1-3-11-20-17-8-7-15(14(2)19)12-16(17)13-18-9-5-4-6-10-18/h7-8,12H,3-6,9-11,13H2,1-2H3/p+1