1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-1-ium-4-one

Systemtic Name: 1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-1-ium-4-one Openeye Name: 1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-1-ium-4-one CAS Name: 1-[3-(2,4,6-trimethylphenoxy)propyl]-4-piperidin-1-iumone IUPAC Name: 1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-1-ium-4-one Traditional Name: 1-[3-(2,4,6-trimethylphenoxy)propyl]piperidin-1-ium-4-one Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCCC[NH+]2CCC(=O)CC2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCCC[NH+]2CCC(=O)CC2)C

InChI

InChI=1S/C17H25NO2/c1-13-11-14(2)17(15(3)12-13)20-10-4-7-18-8-5-16(19)6-9-18/h11-12H,4-10H2,1-3H3/p+1