2-(3-butyl-4-methylsulfonyl-1H-imidazol-3-ium-2-yl)aniline; dihydrogen phosphate

Systemtic Name: 2-(3-butyl-4-methylsulfonyl-1H-imidazol-3-ium-2-yl)aniline; dihydrogen phosphate Openeye Name: 2-(3-butyl-4-methylsulfonyl-1H-imidazol-3-ium-2-yl)aniline; dihydrogen phosphate CAS Name: 2-(3-butyl-4-methylsulfonyl-1H-imidazol-3-ium-2-yl)aniline; dihydrogen phosphate IUPAC Name: 2-(3-butyl-4-methylsulfonyl-1H-imidazol-3-ium-2-yl)aniline; dihydrogen phosphate Traditional Name: [2-(3-butyl-4-mesyl-1H-imidazol-3-ium-2-yl)phenyl]amine; dihydrogen phosphate Formula: C14H22N3O6PS MolecularWeight: 391.379741

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(NC=C1S(=O)(=O)C)C2=CC=CC=C2N.OP(=O)(O)[O-]

Isomeric SMILES

CCCC[N+]1=C(NC=C1S(=O)(=O)C)C2=CC=CC=C2N.OP(=O)(O)[O-]

InChI

InChI=1S/C14H19N3O2S.H3O4P/c1-3-4-9-17-13(20(2,18)19)10-16-14(17)11-7-5-6-8-12(11)15;1-5(2,3)4/h5-8,10H,3-4,9H2,1-2H3,(H2,15,16);(H3,1,2,3,4)