1-[[3-(4-chloranylphenoxy)phenyl]methyl]azepan-1-ium

Systemtic Name: 1-[[3-(4-chloranylphenoxy)phenyl]methyl]azepan-1-ium Openeye Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]azepan-1-ium CAS Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]azepan-1-ium IUPAC Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]azepan-1-ium Traditional Name: 1-[3-(4-chlorophenoxy)benzyl]azepan-1-ium Formula: C19H23ClNO+ MolecularWeight: 316.84502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H22ClNO/c20-17-8-10-18(11-9-17)22-19-7-5-6-16(14-19)15-21-12-3-1-2-4-13-21/h5-11,14H,1-4,12-13,15H2/p+1