2,5-bis(chloranyl)-3,6-dimethyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide

Systemtic Name: 2,5-bis(chloranyl)-3,6-dimethyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Openeye Name: 2,5-dichloro-3,6-dimethyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide CAS Name: 2,5-dichloro-3,6-dimethyl-N-[3-(1-pyrrolidin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 2,5-dichloro-3,6-dimethyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Traditional Name: 2,5-dichloro-3,6-dimethyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide Formula: C15H23Cl2N2O2S+ MolecularWeight: 366.32632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1Cl)S(=O)(=O)NCCC[NH+]2CCCC2)C)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1Cl)S(=O)(=O)NCCC[NH+]2CCCC2)C)Cl

InChI

InChI=1S/C15H22Cl2N2O2S/c1-11-10-13(16)12(2)15(14(11)17)22(20,21)18-6-5-9-19-7-3-4-8-19/h10,18H,3-9H2,1-2H3/p+1