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4-methylbenzenesulfonate; 1-(3-phenylpentan-3-yl)pyrrolidin-1-ium

4-methylbenzenesulfonate; 1-(3-phenylpentan-3-yl)pyrrolidin-1-ium

Systemtic Name:4-methylbenzenesulfonate; 1-(3-phenylpentan-3-yl)pyrrolidin-1-ium
Openeye Name:1-(1-ethyl-1-phenyl-propyl)pyrrolidin-1-ium; 4-methylbenzenesulfonate
CAS Name:4-methylbenzenesulfonate; 1-(3-phenylpentan-3-yl)pyrrolidin-1-ium
IUPAC Name:4-methylbenzenesulfonate; 1-(3-phenylpentan-3-yl)pyrrolidin-1-ium
Traditional Name:1-(1-ethyl-1-phenyl-propyl)pyrrolidin-1-ium tosylate
Formula: C22H31NO3S
MolecularWeight: 389.55144
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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=CC=C1)[NH+]2CCCC2.CC1=CC=C(C=C1)S(=O)(=O)[O-]


Isomeric SMILES

CCC(CC)(C1=CC=CC=C1)[NH+]2CCCC2.CC1=CC=C(C=C1)S(=O)(=O)[O-]


InChI

InChI=1S/C15H23N.C7H8O3S/c1-3-15(4-2,16-12-8-9-13-16)14-10-6-5-7-11-14;1-6-2-4-7(5-3-6)11(8,9)10/h5-7,10-11H,3-4,8-9,12-13H2,1-2H3;2-5H,1H3,(H,8,9,10)


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