4-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxy-N,N-diethyl-but-2-yn-1-amine oxide

Systemtic Name: 4-(2-cyclohexyl-2-oxidanyl-2-phenyl-ethanoyl)oxy-N,N-diethyl-but-2-yn-1-amine oxide Openeye Name: 4-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxy-N,N-diethyl-but-2-yn-1-amine oxide CAS Name: 4-(2-cyclohexyl-2-hydroxy-1-oxo-2-phenylethoxy)-N,N-diethyl-2-butyn-1-amine oxide IUPAC Name: 4-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy-N,N-diethylbut-2-yn-1-amine oxide Traditional Name: 4-(2-cyclohexyl-2-hydroxy-2-phenyl-acetyl)oxy-N,N-diethyl-but-2-yn-1-amine oxide Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O)[O-]

Isomeric SMILES

CC[N+](CC)(CC#CCOC(=O)C(C1CCCCC1)(C2=CC=CC=C2)O)[O-]

InChI

InChI=1S/C22H31NO4/c1-3-23(26,4-2)17-11-12-18-27-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3