3-(octanoylamino)propyl-(1-phenylethyl)-prop-2-enyl-azanium phosphate

Systemtic Name: 3-(octanoylamino)propyl-(1-phenylethyl)-prop-2-enyl-azanium phosphate Openeye Name: allyl-[3-(octanoylamino)propyl]-(1-phenylethyl)ammonium phosphate CAS Name: 3-(1-oxooctylamino)propyl-(1-phenylethyl)-prop-2-enylammonium phosphate IUPAC Name: 3-(octanoylamino)propyl-(1-phenylethyl)-prop-2-enylazanium phosphate Traditional Name: allyl-[3-(caprylylamino)propyl]-(1-phenylethyl)ammonium phosphate Formula: C22H37N2O5P-2 MolecularWeight: 440.513341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NCCC[NH+](CC=C)C(C)C1=CC=CC=C1.[O-]P(=O)([O-])[O-]

Isomeric SMILES

CCCCCCCC(=O)NCCC[NH+](CC=C)C(C)C1=CC=CC=C1.[O-]P(=O)([O-])[O-]

InChI

InChI=1S/C22H36N2O.H3O4P/c1-4-6-7-8-12-16-22(25)23-17-13-19-24(18-5-2)20(3)21-14-10-9-11-15-21;1-5(2,3)4/h5,9-11,14-15,20H,2,4,6-8,12-13,16-19H2,1,3H3,(H,23,25);(H3,1,2,3,4)/p-2