N,N-dimethyl-1-(5,9,13-trimethyltetradecyl)pyridin-1-ium-4-amine; 4-methylbenzenesulfonate

Systemtic Name: N,N-dimethyl-1-(5,9,13-trimethyltetradecyl)pyridin-1-ium-4-amine; 4-methylbenzenesulfonate Openeye Name: N,N-dimethyl-1-(5,9,13-trimethyltetradecyl)pyridin-1-ium-4-amine; 4-methylbenzenesulfonate CAS Name: N,N-dimethyl-1-(5,9,13-trimethyltetradecyl)-4-pyridin-1-iumamine; 4-methylbenzenesulfonate IUPAC Name: N,N-dimethyl-1-(5,9,13-trimethyltetradecyl)pyridin-1-ium-4-amine; 4-methylbenzenesulfonate Traditional Name: dimethyl-[1-(5,9,13-trimethyltetradecyl)pyridin-1-ium-4-yl]amine tosylate Formula: C31H52N2O3S MolecularWeight: 532.82118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)CCCC(C)CCCC(C)CCCC[N+]1=CC=C(C=C1)N(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(C)CCCC(C)CCCC(C)CCCC[N+]1=CC=C(C=C1)N(C)C

InChI

InChI=1S/C24H45N2.C7H8O3S/c1-21(2)11-9-13-23(4)15-10-14-22(3)12-7-8-18-26-19-16-24(17-20-26)25(5)6;1-6-2-4-7(5-3-6)11(8,9)10/h16-17,19-23H,7-15,18H2,1-6H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1