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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COS(=O)(=O)CC1=CC=CC=C1.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;1-11-12(9,10)7-8-5-3-2-4-6-8/h13-14H,1-11H2;2-6H,7H2,1H3/q+1;