4-methylbenzenesulfonate; 2-(2-methyl-1,3-dioxolan-2-yl)ethyl-(phenylmethyl)-bis(prop-2-enyl)azanium

Systemtic Name: 4-methylbenzenesulfonate; 2-(2-methyl-1,3-dioxolan-2-yl)ethyl-(phenylmethyl)-bis(prop-2-enyl)azanium Openeye Name: diallyl-benzyl-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ammonium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 2-(2-methyl-1,3-dioxolan-2-yl)ethyl-(phenylmethyl)-bis(prop-2-enyl)ammonium IUPAC Name: benzyl-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-bis(prop-2-enyl)azanium; 4-methylbenzenesulfonate Traditional Name: diallyl-benzyl-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]ammonium tosylate Formula: C26H35NO5S MolecularWeight: 473.6248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(OCCO1)CC[N+](CC=C)(CC=C)CC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1(OCCO1)CC[N+](CC=C)(CC=C)CC2=CC=CC=C2

InChI

InChI=1S/C19H28NO2.C7H8O3S/c1-4-12-20(13-5-2,17-18-9-7-6-8-10-18)14-11-19(3)21-15-16-22-19;1-6-2-4-7(5-3-6)11(8,9)10/h4-10H,1-2,11-17H2,3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1