benzenesulfonate; 1,3-bis(1,1-dimethylpyrrolidin-1-ium-2-yl)propan-2-one

Systemtic Name: benzenesulfonate; 1,3-bis(1,1-dimethylpyrrolidin-1-ium-2-yl)propan-2-one Openeye Name: benzenesulfonate; 1,3-bis(1,1-dimethylpyrrolidin-1-ium-2-yl)propan-2-one CAS Name: benzenesulfonate; 1,3-bis(1,1-dimethyl-2-pyrrolidin-1-iumyl)-2-propanone IUPAC Name: benzenesulfonate; 1,3-bis(1,1-dimethylpyrrolidin-1-ium-2-yl)propan-2-one Traditional Name: 1,3-bis(1,1-dimethylpyrrolidin-1-ium-2-yl)acetone dibesylate Formula: C27H40N2O7S2 MolecularWeight: 568.7457

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1CC(=O)CC2CCC[N+]2(C)C)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCCC1CC(=O)CC2CCC[N+]2(C)C)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H30N2O.2C6H6O3S/c1-16(2)9-5-7-13(16)11-15(18)12-14-8-6-10-17(14,3)4;2*7-10(8,9)6-4-2-1-3-5-6/h13-14H,5-12H2,1-4H3;2*1-5H,(H,7,8,9)/q+2;;/p-2