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

Systemtic Name: 4-[4-(4-piperidin-1-ium-1-ylbutoxy)phenyl]butan-2-one Openeye Name: 4-[4-(4-piperidin-1-ium-1-ylbutoxy)phenyl]butan-2-one CAS Name: 4-[4-[4-(1-piperidin-1-iumyl)butoxy]phenyl]-2-butanone IUPAC Name: 4-[4-(4-piperidin-1-ium-1-ylbutoxy)phenyl]butan-2-one Traditional Name: 4-[4-(4-piperidin-1-ium-1-ylbutoxy)phenyl]butan-2-one Formula: C19H30NO2+ MolecularWeight: 304.447

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO2/c1-17(21)7-8-18-9-11-19(12-10-18)22-16-6-5-15-20-13-3-2-4-14-20/h9-12H,2-8,13-16H2,1H3/p+1