1-[2-(3-phenoxyphenoxy)ethyl]azepan-1-ium

Systemtic Name: 1-[2-(3-phenoxyphenoxy)ethyl]azepan-1-ium Openeye Name: 1-[2-(3-phenoxyphenoxy)ethyl]azepan-1-ium CAS Name: 1-[2-(3-phenoxyphenoxy)ethyl]azepan-1-ium IUPAC Name: 1-[2-(3-phenoxyphenoxy)ethyl]azepan-1-ium Traditional Name: 1-[2-(3-phenoxyphenoxy)ethyl]azepan-1-ium Formula: C20H26NO2+ MolecularWeight: 312.42594

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCOC2=CC=CC(=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CCOC2=CC=CC(=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H25NO2/c1-2-7-14-21(13-6-1)15-16-22-19-11-8-12-20(17-19)23-18-9-4-3-5-10-18/h3-5,8-12,17H,1-2,6-7,13-16H2/p+1