azanylidenemethylidene-cyclohexyl-(2-morpholin-4-ylethyl)azanium; methyl 4-methylbenzenesulfonate

Systemtic Name: azanylidenemethylidene-cyclohexyl-(2-morpholin-4-ylethyl)azanium; methyl 4-methylbenzenesulfonate Openeye Name: cyclohexyl-(iminomethylene)-(2-morpholinoethyl)ammonium; methyl 4-methylbenzenesulfonate CAS Name: cyclohexyl-(iminomethylidene)-[2-(4-morpholinyl)ethyl]ammonium; 4-methylbenzenesulfonic acid methyl ester IUPAC Name: cyclohexyl-(iminomethylidene)-(2-morpholin-4-ylethyl)azanium; methyl 4-methylbenzenesulfonate Traditional Name: cyclohexyl-(iminomethylene)-(2-morpholinoethyl)ammonium; 4-methylbenzenesulfonic acid methyl ester Formula: C21H34N3O4S+ MolecularWeight: 424.57736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC.C1CCC(CC1)[N+](=C=N)CCN2CCOCC2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC.C1CCC(CC1)[N+](=C=N)CCN2CCOCC2

InChI

InChI=1S/C13H24N3O.C8H10O3S/c14-12-16(13-4-2-1-3-5-13)7-6-15-8-10-17-11-9-15;1-7-3-5-8(6-4-7)12(9,10)11-2/h13-14H,1-11H2;3-6H,1-2H3/q+1;