2-(azepan-1-ium-1-yl)-N-(3-phenoxyphenyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(3-phenoxyphenyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(3-phenoxyphenyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(3-phenoxyphenyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(3-phenoxyphenyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(3-phenoxyphenyl)acetamide Formula: C20H25N2O2+ MolecularWeight: 325.4247

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c23-20(16-22-13-6-1-2-7-14-22)21-17-9-8-12-19(15-17)24-18-10-4-3-5-11-18/h3-5,8-12,15H,1-2,6-7,13-14,16H2,(H,21,23)/p+1