4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 4-chloranyl-2-(furan-2-ylmethylamino)-5-sulfamoyl-benzoate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 4-chloro-2-(2-furylmethylamino)-5-sulfamoyl-benzoate CAS Name: 4-chloro-2-(2-furanylmethylamino)-5-sulfamoylbenzoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoate Traditional Name: benzyl(trimethyl)ammonium; 4-chloro-2-(2-furfurylamino)-5-sulfamoyl-benzoate Formula: C22H26ClN3O5S MolecularWeight: 479.97694

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=CC=C1.C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)[O-])S(=O)(=O)N)Cl

Isomeric SMILES

C[N+](C)(C)CC1=CC=CC=C1.C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)[O-])S(=O)(=O)N)Cl

InChI

InChI=1S/C12H11ClN2O5S.C10H16N/c13-9-5-10(15-6-7-2-1-3-20-7)8(12(16)17)4-11(9)21(14,18)19;1-11(2,3)9-10-7-5-4-6-8-10/h1-5,15H,6H2,(H,16,17)(H2,14,18,19);4-8H,9H2,1-3H3/q;+1/p-1