2-[(1-octyl-1-oxidanidyl-imidazol-1-ium-4-yl)carbamoyl]benzenesulfonic acid

Systemtic Name: 2-[(1-octyl-1-oxidanidyl-imidazol-1-ium-4-yl)carbamoyl]benzenesulfonic acid Openeye Name: 2-[(1-octyl-1-oxido-imidazol-1-ium-4-yl)carbamoyl]benzenesulfonic acid CAS Name: 2-[[(1-octyl-1-oxido-4-imidazol-1-iumyl)amino]-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[(1-octyl-1-oxidoimidazol-1-ium-4-yl)carbamoyl]benzenesulfonic acid Traditional Name: 2-[(1-octyl-1-oxido-imidazol-1-ium-4-yl)carbamoyl]besylic acid Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(C=C(N=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O)[O-]

Isomeric SMILES

CCCCCCCC[N+]1(C=C(N=C1)NC(=O)C2=CC=CC=C2S(=O)(=O)O)[O-]

InChI

InChI=1S/C18H25N3O5S/c1-2-3-4-5-6-9-12-21(23)13-17(19-14-21)20-18(22)15-10-7-8-11-16(15)27(24,25)26/h7-8,10-11,13-14H,2-6,9,12H2,1H3,(H,20,22)(H,24,25,26)