1-(4-chlorophenyl)sulfonyl-4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium

Systemtic Name: 1-(4-chlorophenyl)sulfonyl-4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium Openeye Name: 1-(4-chlorophenyl)sulfonyl-4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium CAS Name: 1-(4-chlorophenyl)sulfonyl-4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium IUPAC Name: 1-(4-chlorophenyl)sulfonyl-4-[(2,4-dichlorophenyl)methyl]-1,4-diazepan-4-ium Traditional Name: 1-(4-chlorophenyl)sulfonyl-4-(2,4-dichlorobenzyl)-1,4-diazepan-4-ium Formula: C18H20Cl3N2O2S+ MolecularWeight: 434.7876

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1C[NH+](CCN(C1)S(=O)(=O)C2=CC=C(C=C2)Cl)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H19Cl3N2O2S/c19-15-4-6-17(7-5-15)26(24,25)23-9-1-8-22(10-11-23)13-14-2-3-16(20)12-18(14)21/h2-7,12H,1,8-11,13H2/p+1