4-[2,4-bis(chloranyl)phenoxy]-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one

Systemtic Name: 4-[2,4-bis(chloranyl)phenoxy]-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one Openeye Name: 4-(2,4-dichlorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one CAS Name: 4-(2,4-dichlorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-butanone IUPAC Name: 4-(2,4-dichlorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one Traditional Name: 4-(2,4-dichlorophenoxy)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)butan-1-one Formula: C16H23Cl2N2O2+ MolecularWeight: 346.27202

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H22Cl2N2O2/c1-19-7-3-8-20(10-9-19)16(21)4-2-11-22-15-6-5-13(17)12-14(15)18/h5-6,12H,2-4,7-11H2,1H3/p+1