2-(azepan-1-ium-1-yl)-N-(4-phenylmethoxyphenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(4-benzyloxyphenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(4-benzoxyphenyl)acetamide Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2/c24-21(16-23-14-6-1-2-7-15-23)22-19-10-12-20(13-11-19)25-17-18-8-4-3-5-9-18/h3-5,8-13H,1-2,6-7,14-17H2,(H,22,24)/p+1