1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(3-methylphenoxy)ethanone

Systemtic Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(3-methylphenoxy)ethanone Openeye Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-1-piperidyl]-2-(3-methylphenoxy)ethanone CAS Name: 1-[(2S)-2-[2-(1-azepan-1-iumyl)ethyl]-1-piperidinyl]-2-(3-methylphenoxy)ethanone IUPAC Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(3-methylphenoxy)ethanone Traditional Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidino]-2-(3-methylphenoxy)ethanone Formula: C22H35N2O2+ MolecularWeight: 359.5255

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCCCC2CC[NH+]3CCCCCC3

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCCC[C@H]2CC[NH+]3CCCCCC3

InChI

InChI=1S/C22H34N2O2/c1-19-9-8-11-21(17-19)26-18-22(25)24-15-7-4-10-20(24)12-16-23-13-5-2-3-6-14-23/h8-9,11,17,20H,2-7,10,12-16,18H2,1H3/p+1/t20-/m0/s1