dibutyl-methyl-[4-[(5-phenyl-1,2-oxazol-3-yl)oxy]but-2-ynyl]azanium

Systemtic Name: dibutyl-methyl-[4-[(5-phenyl-1,2-oxazol-3-yl)oxy]but-2-ynyl]azanium Openeye Name: dibutyl-methyl-[4-(5-phenylisoxazol-3-yl)oxybut-2-ynyl]ammonium CAS Name: dibutyl-methyl-[4-[(5-phenyl-3-isoxazolyl)oxy]but-2-ynyl]ammonium IUPAC Name: dibutyl-methyl-[4-[(5-phenyl-1,2-oxazol-3-yl)oxy]but-2-ynyl]azanium Traditional Name: dibutyl-methyl-[4-(5-phenylisoxazol-3-yl)oxybut-2-ynyl]ammonium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](C)(CCCC)CC#CCOC1=NOC(=C1)C2=CC=CC=C2

Isomeric SMILES

CCCC[N+](C)(CCCC)CC#CCOC1=NOC(=C1)C2=CC=CC=C2

InChI

InChI=1S/C22H31N2O2/c1-4-6-15-24(3,16-7-5-2)17-11-12-18-25-22-19-21(26-23-22)20-13-9-8-10-14-20/h8-10,13-14,19H,4-7,15-18H2,1-3H3/q+1