2-carboxyethyl-dimethyl-undecan-2-yl-azanium; 4-methylbenzenesulfonate

Systemtic Name: 2-carboxyethyl-dimethyl-undecan-2-yl-azanium; 4-methylbenzenesulfonate Openeye Name: 2-carboxyethyl-dimethyl-(1-methyldecyl)ammonium; 4-methylbenzenesulfonate CAS Name: 2-carboxyethyl-dimethyl-undecan-2-ylammonium; 4-methylbenzenesulfonate IUPAC Name: 2-carboxyethyl-dimethyl-undecan-2-ylazanium; 4-methylbenzenesulfonate Traditional Name: 2-carboxyethyl-dimethyl-(1-methyldecyl)ammonium tosylate Formula: C23H41NO5S MolecularWeight: 443.64034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H33NO2.C7H8O3S/c1-5-6-7-8-9-10-11-12-15(2)17(3,4)14-13-16(18)19;1-6-2-4-7(5-3-6)11(8,9)10/h15H,5-14H2,1-4H3;2-5H,1H3,(H,8,9,10)