4-chloranyl-2-methyl-1-prop-2-enyl-quinolin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4-chloranyl-2-methyl-1-prop-2-enyl-quinolin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-allyl-4-chloro-2-methyl-quinolin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-chloro-2-methyl-1-prop-2-enylquinolin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4-chloro-2-methyl-1-prop-2-enylquinolin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-allyl-4-chloro-2-methyl-quinolin-1-ium tosylate Formula: C20H20ClNO3S MolecularWeight: 389.8957

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=CC=CC=C2C(=C1)Cl)CC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=[N+](C2=CC=CC=C2C(=C1)Cl)CC=C

InChI

InChI=1S/C13H13ClN.C7H8O3S/c1-3-8-15-10(2)9-12(14)11-6-4-5-7-13(11)15;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,9H,1,8H2,2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1