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

Systemtic Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone Openeye Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-1-piperidyl]-2-(4-methoxyphenyl)ethanone CAS Name: 1-[(2S)-2-[2-(1-azepan-1-iumyl)ethyl]-1-piperidinyl]-2-(4-methoxyphenyl)ethanone IUPAC Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(4-methoxyphenyl)ethanone Traditional Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidino]-2-(4-methoxyphenyl)ethanone Formula: C22H35N2O2+ MolecularWeight: 359.5255

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)N2CCCCC2CC[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)N2CCCC[C@H]2CC[NH+]3CCCCCC3

InChI

InChI=1S/C22H34N2O2/c1-26-21-11-9-19(10-12-21)18-22(25)24-16-7-4-8-20(24)13-17-23-14-5-2-3-6-15-23/h9-12,20H,2-8,13-18H2,1H3/p+1/t20-/m0/s1