2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)-N-(2-phenoxyphenyl)ethanamide

Systemtic Name: 2-(4-ethanoyl-1,4-diazepan-1-ium-1-yl)-N-(2-phenoxyphenyl)ethanamide Openeye Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide CAS Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide IUPAC Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide Traditional Name: 2-(4-acetyl-1,4-diazepan-1-ium-1-yl)-N-(2-phenoxyphenyl)acetamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC[NH+](CC1)CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC[NH+](CC1)CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O3/c1-17(25)24-13-7-12-23(14-15-24)16-21(26)22-19-10-5-6-11-20(19)27-18-8-3-2-4-9-18/h2-6,8-11H,7,12-16H2,1H3,(H,22,26)/p+1