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

Systemtic Name: dihydrogen phosphate; 3-piperidin-1-ium-1-ylpropyl 4-azanyl-2-butoxy-benzoate Openeye Name: dihydrogen phosphate; 3-piperidin-1-ium-1-ylpropyl 4-amino-2-butoxy-benzoate CAS Name: 4-amino-2-butoxybenzoic acid 3-(1-piperidin-1-iumyl)propyl ester; dihydrogen phosphate IUPAC Name: dihydrogen phosphate; 3-piperidin-1-ium-1-ylpropyl 4-amino-2-butoxybenzoate Traditional Name: 4-amino-2-butoxy-benzoic acid 3-piperidin-1-ium-1-ylpropyl ester; dihydrogen phosphate Formula: C19H33N2O7P MolecularWeight: 432.448281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)N)C(=O)OCCC[NH+]2CCCCC2.OP(=O)(O)[O-]

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)N)C(=O)OCCC[NH+]2CCCCC2.OP(=O)(O)[O-]

InChI

InChI=1S/C19H30N2O3.H3O4P/c1-2-3-13-23-18-15-16(20)8-9-17(18)19(22)24-14-7-12-21-10-5-4-6-11-21;1-5(2,3)4/h8-9,15H,2-7,10-14,20H2,1H3;(H3,1,2,3,4)