azanium 4-[(phenylmethyl)amino]benzenesulfonate

Systemtic Name: azanium 4-[(phenylmethyl)amino]benzenesulfonate Openeye Name: ammonium 4-(benzylamino)benzenesulfonate CAS Name: ammonium 4-[(phenylmethyl)amino]benzenesulfonate IUPAC Name: azanium 4-(benzylamino)benzenesulfonate Traditional Name: ammonium 4-(benzylamino)besylate Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC=C(C=C2)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C13H13NO3S.H3N/c15-18(16,17)13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11;/h1-9,14H,10H2,(H,15,16,17);1H3