4-[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]butan-2-one

Systemtic Name: 4-[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]butan-2-one Openeye Name: 4-[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]butan-2-one CAS Name: 4-[4-[3-(1-piperidin-1-iumyl)propoxy]phenyl]-2-butanone IUPAC Name: 4-[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]butan-2-one Traditional Name: 4-[4-(3-piperidin-1-ium-1-ylpropoxy)phenyl]butan-2-one Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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