dodecyl-[(3-methyl-2-methylidene-butanoyl)amino]-propyl-azanium; 4-methylbenzenesulfonate

Systemtic Name: dodecyl-[(3-methyl-2-methylidene-butanoyl)amino]-propyl-azanium; 4-methylbenzenesulfonate Openeye Name: dodecyl-[(3-methyl-2-methylene-butanoyl)amino]-propyl-ammonium; 4-methylbenzenesulfonate CAS Name: dodecyl-[(3-methyl-2-methylene-1-oxobutyl)amino]-propylammonium; 4-methylbenzenesulfonate IUPAC Name: dodecyl-[(3-methyl-2-methylidenebutanoyl)amino]-propylazanium; 4-methylbenzenesulfonate Traditional Name: [(2-isopropylacryloyl)amino]-lauryl-propyl-ammonium tosylate Formula: C28H50N2O4S MolecularWeight: 510.7726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[NH+](CCC)NC(=O)C(=C)C(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC[NH+](CCC)NC(=O)C(=C)C(C)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C21H42N2O.C7H8O3S/c1-6-8-9-10-11-12-13-14-15-16-18-23(17-7-2)22-21(24)20(5)19(3)4;1-6-2-4-7(5-3-6)11(8,9)10/h19H,5-18H2,1-4H3,(H,22,24);2-5H,1H3,(H,8,9,10)