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

Systemtic Name: (1-butoxy-1-oxidanylidene-hexan-2-yl)azanium; 4-methylbenzenesulfonate Openeye Name: 1-butoxycarbonylpentylammonium; 4-methylbenzenesulfonate CAS Name: (1-butoxy-1-oxohexan-2-yl)ammonium; 4-methylbenzenesulfonate IUPAC Name: (1-butoxy-1-oxohexan-2-yl)azanium; 4-methylbenzenesulfonate Traditional Name: 1-butoxycarbonylpentylammonium tosylate Formula: C17H29NO5S MolecularWeight: 359.48086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H21NO2.C7H8O3S/c1-3-5-7-9(11)10(12)13-8-6-4-2;1-6-2-4-7(5-3-6)11(8,9)10/h9H,3-8,11H2,1-2H3;2-5H,1H3,(H,8,9,10)