5-[[(3-methoxyphenyl)carbonylamino]methyl]thiophene-2-sulfonate; tetrabutylazanium

Systemtic Name: 5-[[(3-methoxyphenyl)carbonylamino]methyl]thiophene-2-sulfonate; tetrabutylazanium Openeye Name: 5-[[(3-methoxybenzoyl)amino]methyl]thiophene-2-sulfonate; tetrabutylammonium CAS Name: 5-[[[(3-methoxyphenyl)-oxomethyl]amino]methyl]-2-thiophenesulfonate; tetrabutylammonium IUPAC Name: 5-[[(3-methoxybenzoyl)amino]methyl]thiophene-2-sulfonate; tetrabutylazanium Traditional Name: 5-[(m-anisoylamino)methyl]thiophene-2-sulfonate; tetrabutylammonium Formula: C29H48N2O5S2 MolecularWeight: 568.83182

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.COC1=CC=CC(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.COC1=CC=CC(=C1)C(=O)NCC2=CC=C(S2)S(=O)(=O)[O-]

InChI

InChI=1S/C16H36N.C13H13NO5S2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-19-10-4-2-3-9(7-10)13(15)14-8-11-5-6-12(20-11)21(16,17)18/h5-16H2,1-4H3;2-7H,8H2,1H3,(H,14,15)(H,16,17,18)/q+1;/p-1