4-chloranyl-1-prop-2-enyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-chloranyl-1-prop-2-enyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-allyl-4-chloro-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-chloro-1-prop-2-enylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-chloro-1-prop-2-enylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-allyl-4-chloro-pyridin-1-ium tosylate Formula: C15H16ClNO3S MolecularWeight: 325.81044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H9ClN.C7H8O3S/c1-2-5-10-6-3-8(9)4-7-10;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,6-7H,1,5H2;2-5H,1H3,(H,8,9,10)/q+1;/p-1