4-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-2-one

Systemtic Name: 4-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-2-one Openeye Name: 4-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-2-one CAS Name: 4-[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]-2-butanone IUPAC Name: 4-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-2-one Traditional Name: 4-[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]butan-2-one Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC[NH+]2CCCCC2

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCC[NH+]2CCCCC2

InChI

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