4-methylbenzenesulfonate; 1-phenethyl-4,4-bis(prop-2-enoxy)piperidin-1-ium

Systemtic Name: 4-methylbenzenesulfonate; 1-phenethyl-4,4-bis(prop-2-enoxy)piperidin-1-ium Openeye Name: 4,4-diallyloxy-1-phenethyl-piperidin-1-ium; 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonate; 1-phenethyl-4,4-bis(prop-2-enoxy)piperidin-1-ium IUPAC Name: 4-methylbenzenesulfonate; 1-phenethyl-4,4-bis(prop-2-enoxy)piperidin-1-ium Traditional Name: 4,4-diallyloxy-1-phenethyl-piperidin-1-ium 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-].C=CCOC1(CC[NH+](CC1)CCC2=CC=CC=C2)OCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C=CCOC1(CC[NH+](CC1)CCC2=CC=CC=C2)OCC=C

InChI

InChI=1S/C19H27NO2.C7H8O3S/c1-3-16-21-19(22-17-4-2)11-14-20(15-12-19)13-10-18-8-6-5-7-9-18;1-6-2-4-7(5-3-6)11(8,9)10/h3-9H,1-2,10-17H2;2-5H,1H3,(H,8,9,10)