N'-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]methanediimine; 4-methylbenzenesulfonate

Systemtic Name: N'-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]methanediimine; 4-methylbenzenesulfonate Openeye Name: N'-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]methanediimine; 4-methylbenzenesulfonate CAS Name: N'-cyclohexyl-N-[2-(1-methyl-1-piperidin-1-iumyl)ethyl]methanediimine; 4-methylbenzenesulfonate IUPAC Name: N'-cyclohexyl-N-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]methanediimine; 4-methylbenzenesulfonate Traditional Name: cyclohexyl-[2-(1-methylpiperidin-1-ium-1-yl)ethyliminomethylene]amine tosylate Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCCCC1)CCN=C=NC2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(CCCCC1)CCN=C=NC2CCCCC2

InChI

InChI=1S/C15H28N3.C7H8O3S/c1-18(11-6-3-7-12-18)13-10-16-14-17-15-8-4-2-5-9-15;1-6-2-4-7(5-3-6)11(8,9)10/h15H,2-13H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1