trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-[7-(4-phenylphenoxy)heptylcarbamoylamino]butyl]azanium

Systemtic Name: trimethyl-[(2R)-4-oxidanyl-4-oxidanylidene-2-[7-(4-phenylphenoxy)heptylcarbamoylamino]butyl]azanium Openeye Name: [(2R)-4-hydroxy-4-oxo-2-[7-(4-phenylphenoxy)heptylcarbamoylamino]butyl]-trimethyl-ammonium CAS Name: [(2R)-4-hydroxy-4-oxo-2-[[oxo-[7-(4-phenylphenoxy)heptylamino]methyl]amino]butyl]-trimethylammonium IUPAC Name: [(2R)-4-hydroxy-4-oxo-2-[7-(4-phenylphenoxy)heptylcarbamoylamino]butyl]-trimethylazanium Traditional Name: [(2R)-4-hydroxy-4-keto-2-[7-(4-phenylphenoxy)heptylcarbamoylamino]butyl]-trimethyl-ammonium Formula: C27H40N3O4+ MolecularWeight: 470.6242

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)NC(=O)NCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)O)NC(=O)NCCCCCCCOC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C27H39N3O4/c1-30(2,3)21-24(20-26(31)32)29-27(33)28-18-10-5-4-6-11-19-34-25-16-14-23(15-17-25)22-12-8-7-9-13-22/h7-9,12-17,24H,4-6,10-11,18-21H2,1-3H3,(H2-,28,29,31,32,33)/p+1/t24-/m1/s1