4-chloranyl-1-propyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-chloranyl-1-propyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4-chloro-1-propyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-chloro-1-propylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-chloro-1-propylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4-chloro-1-propyl-pyridin-1-ium tosylate Formula: C15H18ClNO3S MolecularWeight: 327.82632

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCC[N+]1=CC=C(C=C1)Cl.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C8H11ClN.C7H8O3S/c1-2-5-10-6-3-8(9)4-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,6-7H,2,5H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1