2-(2-methylphenoxy)-1-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(2-methylphenoxy)-1-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]ethanone Openeye Name: 2-(2-methylphenoxy)-1-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)-1-piperidyl]ethanone CAS Name: 2-(2-methylphenoxy)-1-[(2S)-2-[2-(1-piperidin-1-iumyl)ethyl]-1-piperidinyl]ethanone IUPAC Name: 2-(2-methylphenoxy)-1-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]ethanone Traditional Name: 2-(2-methylphenoxy)-1-[(2S)-2-(2-piperidin-1-ium-1-ylethyl)piperidino]ethanone Formula: C21H33N2O2+ MolecularWeight: 345.49892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)N2CCCCC2CC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)N2CCCC[C@H]2CC[NH+]3CCCCC3

InChI

InChI=1S/C21H32N2O2/c1-18-9-3-4-11-20(18)25-17-21(24)23-15-8-5-10-19(23)12-16-22-13-6-2-7-14-22/h3-4,9,11,19H,2,5-8,10,12-17H2,1H3/p+1/t19-/m0/s1