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

Systemtic Name: 2-(1-benzamidoazepan-1-ium-1-yl)-1-phenyl-ethanolate Openeye Name: 2-(1-benzamidoazepan-1-ium-1-yl)-1-phenyl-ethanolate CAS Name: 2-(1-benzamido-1-azepan-1-iumyl)-1-phenylethanolate IUPAC Name: 2-(1-benzamidoazepan-1-ium-1-yl)-1-phenylethanolate Traditional Name: 2-(1-benzamidoazepan-1-ium-1-yl)-1-phenyl-ethanolate Formula: C21H26N2O2 MolecularWeight: 338.44334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[N+](CC1)(CC(C2=CC=CC=C2)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCC[N+](CC1)(CC(C2=CC=CC=C2)[O-])NC(=O)C3=CC=CC=C3

InChI

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