3-ethylpentyl-dimethyl-[3-(prop-2-enoylamino)propyl]azanium bromide phosphate

Systemtic Name: 3-ethylpentyl-dimethyl-[3-(prop-2-enoylamino)propyl]azanium bromide phosphate Openeye Name: 3-ethylpentyl-dimethyl-[3-(prop-2-enoylamino)propyl]ammonium bromide phosphate CAS Name: 3-ethylpentyl-dimethyl-[3-(1-oxoprop-2-enylamino)propyl]ammonium bromide phosphate IUPAC Name: 3-ethylpentyl-dimethyl-[3-(prop-2-enoylamino)propyl]azanium bromide phosphate Traditional Name: 3-acrylamidopropyl-(3-ethylpentyl)-dimethyl-ammonium bromide phosphate Formula: C15H31BrN2O5P-3 MolecularWeight: 430.294801

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC[N+](C)(C)CCCNC(=O)C=C.[O-]P(=O)([O-])[O-].[Br-]

Isomeric SMILES

CCC(CC)CC[N+](C)(C)CCCNC(=O)C=C.[O-]P(=O)([O-])[O-].[Br-]

InChI

InChI=1S/C15H30N2O.BrH.H3O4P/c1-6-14(7-2)10-13-17(4,5)12-9-11-16-15(18)8-3;;1-5(2,3)4/h8,14H,3,6-7,9-13H2,1-2,4-5H3;1H;(H3,1,2,3,4)/p-3