1-[4-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(4-tert-butylphenoxy)ethanone

Systemtic Name: 1-[4-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(4-tert-butylphenoxy)ethanone Openeye Name: 1-[4-[2-(azepan-1-ium-1-yl)ethyl]-1-piperidyl]-2-(4-tert-butylphenoxy)ethanone CAS Name: 1-[4-[2-(1-azepan-1-iumyl)ethyl]-1-piperidinyl]-2-(4-tert-butylphenoxy)ethanone IUPAC Name: 1-[4-[2-(azepan-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(4-tert-butylphenoxy)ethanone Traditional Name: 1-[4-[2-(azepan-1-ium-1-yl)ethyl]piperidino]-2-(4-tert-butylphenoxy)ethanone Formula: C25H41N2O2+ MolecularWeight: 401.60524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCC(CC2)CC[NH+]3CCCCCC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)N2CCC(CC2)CC[NH+]3CCCCCC3

InChI

InChI=1S/C25H40N2O2/c1-25(2,3)22-8-10-23(11-9-22)29-20-24(28)27-18-13-21(14-19-27)12-17-26-15-6-4-5-7-16-26/h8-11,21H,4-7,12-20H2,1-3H3/p+1