1-[2,6-bis(chloranyl)phenyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium

Systemtic Name: 1-[2,6-bis(chloranyl)phenyl]sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Openeye Name: 1-(2,6-dichlorophenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium CAS Name: 1-(2,6-dichlorophenyl)sulfonyl-4-(2-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(2,6-dichlorophenyl)sulfonyl-4-(pyridin-2-ylmethyl)piperazin-4-ium Traditional Name: 1-(2,6-dichlorophenyl)sulfonyl-4-(2-pyridylmethyl)piperazin-4-ium Formula: C16H18Cl2N3O2S+ MolecularWeight: 387.30402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=N2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=N2)S(=O)(=O)C3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C16H17Cl2N3O2S/c17-14-5-3-6-15(18)16(14)24(22,23)21-10-8-20(9-11-21)12-13-4-1-2-7-19-13/h1-7H,8-12H2/p+1