2-(4-azanyl-2-propoxy-phenyl)carbonylsulfanylethyl-diethyl-azanium; dihydrogen phosphate

Systemtic Name: 2-(4-azanyl-2-propoxy-phenyl)carbonylsulfanylethyl-diethyl-azanium; dihydrogen phosphate Openeye Name: 2-(4-amino-2-propoxy-benzoyl)sulfanylethyl-diethyl-ammonium; dihydrogen phosphate CAS Name: 2-[[(4-amino-2-propoxyphenyl)-oxomethyl]thio]ethyl-diethylammonium; dihydrogen phosphate IUPAC Name: 2-(4-amino-2-propoxybenzoyl)sulfanylethyl-diethylazanium; dihydrogen phosphate Traditional Name: 2-[(4-amino-2-propoxy-benzoyl)thio]ethyl-diethyl-ammonium; dihydrogen phosphate Formula: C16H29N2O6PS MolecularWeight: 408.450021

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)N)C(=O)SCC[NH+](CC)CC.OP(=O)(O)[O-]

Isomeric SMILES

CCCOC1=C(C=CC(=C1)N)C(=O)SCC[NH+](CC)CC.OP(=O)(O)[O-]

InChI

InChI=1S/C16H26N2O2S.H3O4P/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3;1-5(2,3)4/h7-8,12H,4-6,9-11,17H2,1-3H3;(H3,1,2,3,4)