4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoate; trimethyl-(phenylmethyl)azanium

Systemtic Name: 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoate; trimethyl-(phenylmethyl)azanium Openeye Name: benzyl(trimethyl)ammonium; 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoyl-benzoate CAS Name: 4-phenoxy-3-(1-pyrrolidinyl)-5-sulfamoylbenzoate; trimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl(trimethyl)azanium; 4-phenoxy-3-pyrrolidin-1-yl-5-sulfamoylbenzoate Traditional Name: benzyl(trimethyl)ammonium; 4-phenoxy-3-pyrrolidino-5-sulfamoyl-benzoate Formula: C27H33N3O5S MolecularWeight: 511.63302

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1=CC=CC=C1.C1CCN(C1)C2=C(C(=CC(=C2)C(=O)[O-])S(=O)(=O)N)OC3=CC=CC=C3

Isomeric SMILES

C[N+](C)(C)CC1=CC=CC=C1.C1CCN(C1)C2=C(C(=CC(=C2)C(=O)[O-])S(=O)(=O)N)OC3=CC=CC=C3

InChI

InChI=1S/C17H18N2O5S.C10H16N/c18-25(22,23)15-11-12(17(20)21)10-14(19-8-4-5-9-19)16(15)24-13-6-2-1-3-7-13;1-11(2,3)9-10-7-5-4-6-8-10/h1-3,6-7,10-11H,4-5,8-9H2,(H,20,21)(H2,18,22,23);4-8H,9H2,1-3H3/q;+1/p-1