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

Systemtic Name: 1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-methyl-1,4-diazepan-1-ium Openeye Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methyl-1,4-diazepan-1-ium CAS Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methyl-1,4-diazepan-1-ium IUPAC Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methyl-1,4-diazepan-1-ium Traditional Name: 1-[3-(4-chlorophenoxy)benzyl]-4-methyl-1,4-diazepan-1-ium Formula: C19H24ClN2O+ MolecularWeight: 331.85966

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CCC[NH+](CC1)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H23ClN2O/c1-21-10-3-11-22(13-12-21)15-16-4-2-5-19(14-16)23-18-8-6-17(20)7-9-18/h2,4-9,14H,3,10-13,15H2,1H3/p+1