2-(1-acetamidoazepan-1-ium-1-yl)-1-phenyl-ethanolate

Systemtic Name: 2-(1-acetamidoazepan-1-ium-1-yl)-1-phenyl-ethanolate Openeye Name: 2-(1-acetamidoazepan-1-ium-1-yl)-1-phenyl-ethanolate CAS Name: 2-(1-acetamido-1-azepan-1-iumyl)-1-phenylethanolate IUPAC Name: 2-(1-acetamidoazepan-1-ium-1-yl)-1-phenylethanolate Traditional Name: 2-(1-acetamidoazepan-1-ium-1-yl)-1-phenyl-ethanolate Formula: C16H24N2O2 MolecularWeight: 276.37396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N[N+]1(CCCCCC1)CC(C2=CC=CC=C2)[O-]

Isomeric SMILES

CC(=O)N[N+]1(CCCCCC1)CC(C2=CC=CC=C2)[O-]

InChI

InChI=1S/C16H24N2O2/c1-14(19)17-18(11-7-2-3-8-12-18)13-16(20)15-9-5-4-6-10-15/h4-6,9-10,16H,2-3,7-8,11-13H2,1H3,(H,17,19)