4-methylbenzenesulfonate; 5-methyl-1-(phenylmethyl)-2,3-dihydropyridin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 5-methyl-1-(phenylmethyl)-2,3-dihydropyridin-1-ium Openeye Name: 1-benzyl-5-methyl-2,3-dihydropyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 5-methyl-1-(phenylmethyl)-2,3-dihydropyridin-1-ium IUPAC Name: 1-benzyl-5-methyl-2,3-dihydropyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-benzyl-5-methyl-2,3-dihydropyridin-1-ium tosylate Formula: C20H23NO3S MolecularWeight: 357.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC[N+](=C1)CC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1=CCC[N+](=C1)CC2=CC=CC=C2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C13H16N.C7H8O3S/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,6-8,10H,5,9,11H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1