hept-2-ynylazanium; 4-methylbenzenesulfonate

Systemtic Name: hept-2-ynylazanium; 4-methylbenzenesulfonate Openeye Name: hept-2-ynylammonium; 4-methylbenzenesulfonate CAS Name: hept-2-ynylammonium; 4-methylbenzenesulfonate IUPAC Name: hept-2-ynylazanium; 4-methylbenzenesulfonate Traditional Name: hept-2-ynylammonium tosylate Formula: C14H21NO3S MolecularWeight: 283.38644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H13N.C7H8O3S/c1-2-3-4-5-6-7-8;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,7-8H2,1H3;2-5H,1H3,(H,8,9,10)