2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine; 4-methylbenzenesulfonate

Systemtic Name: 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine; 4-methylbenzenesulfonate Openeye Name: 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethyl-ethanamine; 4-methylbenzenesulfonate CAS Name: 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine; 4-methylbenzenesulfonate IUPAC Name: 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine; 4-methylbenzenesulfonate Traditional Name: 2-[4-[(E)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-dimethyl-amine tosylate Formula: C33H36NO4S- MolecularWeight: 542.70824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC/C(=C(/C1=CC=CC=C1)\C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C26H29NO.C7H8O3S/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3;1-6-2-4-7(5-3-6)11(8,9)10/h5-18H,4,19-20H2,1-3H3;2-5H,1H3,(H,8,9,10)/p-1/b26-25+;