3-[1-[2-(2-butoxyethoxy)ethyl]-1-methyl-pyrrolidin-1-ium-2-yl]pyridine; 4-methylbenzenesulfonate

Systemtic Name: 3-[1-[2-(2-butoxyethoxy)ethyl]-1-methyl-pyrrolidin-1-ium-2-yl]pyridine; 4-methylbenzenesulfonate Openeye Name: 3-[1-[2-(2-butoxyethoxy)ethyl]-1-methyl-pyrrolidin-1-ium-2-yl]pyridine; 4-methylbenzenesulfonate CAS Name: 3-[1-[2-(2-butoxyethoxy)ethyl]-1-methyl-2-pyrrolidin-1-iumyl]pyridine; 4-methylbenzenesulfonate IUPAC Name: 3-[1-[2-(2-butoxyethoxy)ethyl]-1-methylpyrrolidin-1-ium-2-yl]pyridine; 4-methylbenzenesulfonate Traditional Name: 3-[1-[2-(2-butoxyethoxy)ethyl]-1-methyl-pyrrolidin-1-ium-2-yl]pyridine tosylate Formula: C25H38N2O5S MolecularWeight: 478.64462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCCOCC[N+]1(CCCC1C2=CN=CC=C2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCOCCOCC[N+]1(CCCC1C2=CN=CC=C2)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C18H31N2O2.C7H8O3S/c1-3-4-12-21-14-15-22-13-11-20(2)10-6-8-18(20)17-7-5-9-19-16-17;1-6-2-4-7(5-3-6)11(8,9)10/h5,7,9,16,18H,3-4,6,8,10-15H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1