(1-methoxy-1-oxidanylidene-hexan-2-yl)azanium; 4-methylbenzenesulfonate

Systemtic Name: (1-methoxy-1-oxidanylidene-hexan-2-yl)azanium; 4-methylbenzenesulfonate Openeye Name: 1-methoxycarbonylpentylammonium; 4-methylbenzenesulfonate CAS Name: (1-methoxy-1-oxohexan-2-yl)ammonium; 4-methylbenzenesulfonate IUPAC Name: (1-methoxy-1-oxohexan-2-yl)azanium; 4-methylbenzenesulfonate Traditional Name: 1-carbomethoxypentylammonium tosylate Formula: C14H23NO5S MolecularWeight: 317.40112

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)[NH3+].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCC(C(=O)OC)[NH3+].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H15NO2.C7H8O3S/c1-3-4-5-6(8)7(9)10-2;1-6-2-4-7(5-3-6)11(8,9)10/h6H,3-5,8H2,1-2H3;2-5H,1H3,(H,8,9,10)