4-methylbenzenesulfonate; trimethyl-[12-(trimethylazaniumyl)dodecyl]azanium

Systemtic Name: 4-methylbenzenesulfonate; trimethyl-[12-(trimethylazaniumyl)dodecyl]azanium Openeye Name: 4-methylbenzenesulfonate; trimethyl-[12-(trimethylammonio)dodecyl]ammonium CAS Name: 4-methylbenzenesulfonate; trimethyl-[12-(trimethylammonio)dodecyl]ammonium IUPAC Name: 4-methylbenzenesulfonate; trimethyl-[12-(trimethylazaniumyl)dodecyl]azanium Traditional Name: trimethyl-[12-(trimethylammonio)dodecyl]ammonium ditosylate Formula: C32H56N2O6S2 MolecularWeight: 628.92684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H42N2.2C7H8O3S/c1-19(2,3)17-15-13-11-9-7-8-10-12-14-16-18-20(4,5)6;2*1-6-2-4-7(5-3-6)11(8,9)10/h7-18H2,1-6H3;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2