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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCCCC2

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)C)C[NH+]2CCCCC2

InChI

InChI=1S/C18H27NO2/c1-3-4-12-21-18-9-8-16(15(2)20)13-17(18)14-19-10-6-5-7-11-19/h8-9,13H,3-7,10-12,14H2,1-2H3/p+1