1-[4-(2-methylpropoxy)-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethanone

Systemtic Name: 1-[4-(2-methylpropoxy)-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethanone Openeye Name: 1-[4-isobutoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethanone CAS Name: 1-[4-(2-methylpropoxy)-3-(1-piperidin-1-iumylmethyl)phenyl]ethanone IUPAC Name: 1-[4-(2-methylpropoxy)-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethanone Traditional Name: 1-[4-isobutoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]ethanone Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCCCC2

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCCCC2

InChI

InChI=1S/C18H27NO2/c1-14(2)13-21-18-8-7-16(15(3)20)11-17(18)12-19-9-5-4-6-10-19/h7-8,11,14H,4-6,9-10,12-13H2,1-3H3/p+1