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

Systemtic Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone Openeye Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]-1-piperidyl]-2-(4-isopropylphenoxy)ethanone CAS Name: 1-[(2S)-2-[2-(1-azepan-1-iumyl)ethyl]-1-piperidinyl]-2-(4-propan-2-ylphenoxy)ethanone IUPAC Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone Traditional Name: 1-[(2S)-2-[2-(azepan-1-ium-1-yl)ethyl]piperidino]-2-(4-isopropylphenoxy)ethanone Formula: C24H39N2O2+ MolecularWeight: 387.57866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38N2O2/c1-20(2)21-10-12-23(13-11-21)28-19-24(27)26-17-8-5-9-22(26)14-18-25-15-6-3-4-7-16-25/h10-13,20,22H,3-9,14-19H2,1-2H3/p+1/t22-/m0/s1