1-[3-(3-tert-butylphenoxy)propyl]piperidin-1-ium-4-one

Systemtic Name: 1-[3-(3-tert-butylphenoxy)propyl]piperidin-1-ium-4-one Openeye Name: 1-[3-(3-tert-butylphenoxy)propyl]piperidin-1-ium-4-one CAS Name: 1-[3-(3-tert-butylphenoxy)propyl]-4-piperidin-1-iumone IUPAC Name: 1-[3-(3-tert-butylphenoxy)propyl]piperidin-1-ium-4-one Traditional Name: 1-[3-(3-tert-butylphenoxy)propyl]piperidin-1-ium-4-one Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)OCCC[NH+]2CCC(=O)CC2

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)OCCC[NH+]2CCC(=O)CC2

InChI

InChI=1S/C18H27NO2/c1-18(2,3)15-6-4-7-17(14-15)21-13-5-10-19-11-8-16(20)9-12-19/h4,6-7,14H,5,8-13H2,1-3H3/p+1