dibutyl-[4-[(3S,5S)-2-oxidanylidene-5-(propoxymethyl)oxolan-3-yl]but-2-ynyl]azanium

Systemtic Name: dibutyl-[4-[(3S,5S)-2-oxidanylidene-5-(propoxymethyl)oxolan-3-yl]but-2-ynyl]azanium Openeye Name: dibutyl-[4-[(3S,5S)-2-oxo-5-(propoxymethyl)tetrahydrofuran-3-yl]but-2-ynyl]ammonium CAS Name: dibutyl-[4-[(3S,5S)-2-oxo-5-(propoxymethyl)-3-oxolanyl]but-2-ynyl]ammonium IUPAC Name: dibutyl-[4-[(3S,5S)-2-oxo-5-(propoxymethyl)oxolan-3-yl]but-2-ynyl]azanium Traditional Name: dibutyl-[4-[(3S,5S)-2-keto-5-(propoxymethyl)tetrahydrofuran-3-yl]but-2-ynyl]ammonium Formula: C20H36NO3+ MolecularWeight: 338.50474

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC#CCC1CC(OC1=O)COCCC

Isomeric SMILES

CCCC[NH+](CCCC)CC#CC[C@H]1C[C@H](OC1=O)COCCC

InChI

InChI=1S/C20H35NO3/c1-4-7-12-21(13-8-5-2)14-10-9-11-18-16-19(24-20(18)22)17-23-15-6-3/h18-19H,4-8,11-17H2,1-3H3/p+1/t18-,19-/m0/s1