2-(azepan-1-ium-1-yl)-N-[[2-(2-methoxyphenoxy)pyridin-3-yl]methyl]ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[[2-(2-methoxyphenoxy)pyridin-3-yl]methyl]ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[[2-(2-methoxyphenoxy)-3-pyridyl]methyl]acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[[2-(2-methoxyphenoxy)pyridin-3-yl]methyl]acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[[2-(2-methoxyphenoxy)-3-pyridyl]methyl]acetamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=C(C=CC=N2)CNC(=O)C[NH+]3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1OC2=C(C=CC=N2)CNC(=O)C[NH+]3CCCCCC3

InChI

InChI=1S/C21H27N3O3/c1-26-18-10-4-5-11-19(18)27-21-17(9-8-12-22-21)15-23-20(25)16-24-13-6-2-3-7-14-24/h4-5,8-12H,2-3,6-7,13-16H2,1H3,(H,23,25)/p+1