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

Systemtic Name: 4-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]butan-2-one Openeye Name: 4-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]butan-2-one CAS Name: 4-[4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2-butanone IUPAC Name: 4-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]butan-2-one Traditional Name: 4-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]butan-2-one Formula: C16H24NO2+ MolecularWeight: 262.36726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC1=CC=C(C=C1)OCC[NH+]2CCCC2

Isomeric SMILES

CC(=O)CCC1=CC=C(C=C1)OCC[NH+]2CCCC2

InChI

InChI=1S/C16H23NO2/c1-14(18)4-5-15-6-8-16(9-7-15)19-13-12-17-10-2-3-11-17/h6-9H,2-5,10-13H2,1H3/p+1