dihydrogen phosphate; 3-piperidin-1-ium-1-ylpropyl 4-azanyl-2-phenylmethoxy-benzoate

Systemtic Name: dihydrogen phosphate; 3-piperidin-1-ium-1-ylpropyl 4-azanyl-2-phenylmethoxy-benzoate Openeye Name: dihydrogen phosphate; 3-piperidin-1-ium-1-ylpropyl 4-amino-2-benzyloxy-benzoate CAS Name: 4-amino-2-phenylmethoxybenzoic acid 3-(1-piperidin-1-iumyl)propyl ester; dihydrogen phosphate IUPAC Name: dihydrogen phosphate; 3-piperidin-1-ium-1-ylpropyl 4-amino-2-phenylmethoxybenzoate Traditional Name: 4-amino-2-benzoxy-benzoic acid 3-piperidin-1-ium-1-ylpropyl ester; dihydrogen phosphate Formula: C22H31N2O7P MolecularWeight: 466.464501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCOC(=O)C2=C(C=C(C=C2)N)OCC3=CC=CC=C3.OP(=O)(O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCCOC(=O)C2=C(C=C(C=C2)N)OCC3=CC=CC=C3.OP(=O)(O)[O-]

InChI

InChI=1S/C22H28N2O3.H3O4P/c23-19-10-11-20(21(16-19)27-17-18-8-3-1-4-9-18)22(25)26-15-7-14-24-12-5-2-6-13-24;1-5(2,3)4/h1,3-4,8-11,16H,2,5-7,12-15,17,23H2;(H3,1,2,3,4)