1-[3-(4-phenylmethoxyphenoxy)propyl]azepan-1-ium

Systemtic Name: 1-[3-(4-phenylmethoxyphenoxy)propyl]azepan-1-ium Openeye Name: 1-[3-(4-benzyloxyphenoxy)propyl]azepan-1-ium CAS Name: 1-[3-(4-phenylmethoxyphenoxy)propyl]azepan-1-ium IUPAC Name: 1-[3-(4-phenylmethoxyphenoxy)propyl]azepan-1-ium Traditional Name: 1-[3-(4-benzoxyphenoxy)propyl]azepan-1-ium Formula: C22H30NO2+ MolecularWeight: 340.4791

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC[NH+](CC1)CCCOC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H29NO2/c1-2-7-16-23(15-6-1)17-8-18-24-21-11-13-22(14-12-21)25-19-20-9-4-3-5-10-20/h3-5,9-14H,1-2,6-8,15-19H2/p+1