1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(4-ethylphenoxy)ethanone

Systemtic Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(4-ethylphenoxy)ethanone Openeye Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-1-piperidyl]-2-(4-ethylphenoxy)ethanone CAS Name: 1-[(2S)-2-[2-(1-azepan-1-iumyl)ethyl]-1-piperidinyl]-2-(4-ethylphenoxy)ethanone IUPAC Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(4-ethylphenoxy)ethanone Traditional Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidino]-2-(4-ethylphenoxy)ethanone Formula: C23H37N2O2+ MolecularWeight: 373.55208

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)N2CCCCC2CC[NH+]3CCCCCC3

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)N2CCCC[C@H]2CC[NH+]3CCCCCC3

InChI

InChI=1S/C23H36N2O2/c1-2-20-10-12-22(13-11-20)27-19-23(26)25-17-8-5-9-21(25)14-18-24-15-6-3-4-7-16-24/h10-13,21H,2-9,14-19H2,1H3/p+1/t21-/m0/s1