N-[1-(2-oxidanyl-2-phenyl-ethyl)azepan-1-ium-1-yl]benzamide

Systemtic Name: N-[1-(2-oxidanyl-2-phenyl-ethyl)azepan-1-ium-1-yl]benzamide Openeye Name: N-[1-(2-hydroxy-2-phenyl-ethyl)azepan-1-ium-1-yl]benzamide CAS Name: N-[1-(2-hydroxy-2-phenylethyl)-1-azepan-1-iumyl]benzamide IUPAC Name: N-[1-(2-hydroxy-2-phenylethyl)azepan-1-ium-1-yl]benzamide Traditional Name: N-[1-(2-hydroxy-2-phenyl-ethyl)azepan-1-ium-1-yl]benzamide Formula: C21H27N2O2+ MolecularWeight: 339.45128

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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/h3-8,11-14,20,24H,1-2,9-10,15-17H2/p+1