1-[2,3-bis(chloranyl)phenyl]sulfonyl-4-methyl-1,4-diazepan-4-ium

Systemtic Name: 1-[2,3-bis(chloranyl)phenyl]sulfonyl-4-methyl-1,4-diazepan-4-ium Openeye Name: 1-(2,3-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium CAS Name: 1-(2,3-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium IUPAC Name: 1-(2,3-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium Traditional Name: 1-(2,3-dichlorophenyl)sulfonyl-4-methyl-1,4-diazepan-4-ium Formula: C12H17Cl2N2O2S+ MolecularWeight: 324.24658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16Cl2N2O2S/c1-15-6-3-7-16(9-8-15)19(17,18)11-5-2-4-10(13)12(11)14/h2,4-5H,3,6-9H2,1H3/p+1