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

Systemtic Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone Openeye Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-1-piperidyl]-2-(2-methoxyphenoxy)ethanone CAS Name: 1-[(2S)-2-[2-(1-azepan-1-iumyl)ethyl]-1-piperidinyl]-2-(2-methoxyphenoxy)ethanone IUPAC Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone Traditional Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidino]-2-(2-methoxyphenoxy)ethanone Formula: C22H35N2O3+ MolecularWeight: 375.5249

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC(=O)N2CCCCC2CC[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1OCC(=O)N2CCCC[C@H]2CC[NH+]3CCCCCC3

InChI

InChI=1S/C22H34N2O3/c1-26-20-11-4-5-12-21(20)27-18-22(25)24-16-9-6-10-19(24)13-17-23-14-7-2-3-8-15-23/h4-5,11-12,19H,2-3,6-10,13-18H2,1H3/p+1/t19-/m0/s1