1-[3-[[4-(2-piperidin-1-ylcarbonylphenoxy)piperidin-1-ium-1-yl]methyl]phenyl]ethanone

Systemtic Name: 1-[3-[[4-(2-piperidin-1-ylcarbonylphenoxy)piperidin-1-ium-1-yl]methyl]phenyl]ethanone Openeye Name: 1-[3-[[4-[2-(piperidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]phenyl]ethanone CAS Name: 1-[3-[[4-[2-[oxo(1-piperidinyl)methyl]phenoxy]-1-piperidin-1-iumyl]methyl]phenyl]ethanone IUPAC Name: 1-[3-[[4-[2-(piperidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]phenyl]ethanone Traditional Name: 1-[3-[[4-[2-(piperidine-1-carbonyl)phenoxy]piperidin-1-ium-1-yl]methyl]phenyl]ethanone Formula: C26H33N2O3+ MolecularWeight: 421.55182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCCC4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)C[NH+]2CCC(CC2)OC3=CC=CC=C3C(=O)N4CCCCC4

InChI

InChI=1S/C26H32N2O3/c1-20(29)22-9-7-8-21(18-22)19-27-16-12-23(13-17-27)31-25-11-4-3-10-24(25)26(30)28-14-5-2-6-15-28/h3-4,7-11,18,23H,2,5-6,12-17,19H2,1H3/p+1