[1-methyl-1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium-4-yl]-phenyl-methanone

Systemtic Name: [1-methyl-1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-methyl-1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-methyl-1-[2-(3-methylphenoxy)ethyl]-4-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [1-methyl-1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-methyl-1-[2-(3-methylphenoxy)ethyl]piperidin-1-ium-4-yl]-phenyl-methanone Formula: C22H28NO2+ MolecularWeight: 338.46322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC[N+]2(CCC(CC2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC[N+]2(CCC(CC2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H28NO2/c1-18-7-6-10-21(17-18)25-16-15-23(2)13-11-20(12-14-23)22(24)19-8-4-3-5-9-19/h3-10,17,20H,11-16H2,1-2H3/q+1