1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-methyl-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-methyl-1,4-diazepan-1-ium-5-one Openeye Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methyl-1,4-diazepan-1-ium-5-one CAS Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methyl-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-methyl-1,4-diazepan-1-ium-5-one Traditional Name: 1-[3-(4-chlorophenoxy)benzyl]-4-methyl-1,4-diazepan-1-ium-5-one Formula: C19H22ClN2O2+ MolecularWeight: 345.84318

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CCC1=O)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1CC[NH+](CCC1=O)CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN2O2/c1-21-11-12-22(10-9-19(21)23)14-15-3-2-4-18(13-15)24-17-7-5-16(20)6-8-17/h2-8,13H,9-12,14H2,1H3/p+1