[4-[[3-(4-ethanoyl-5-methyl-furan-2-yl)propanoylamino]methyl]phenyl]methyl-diethyl-azanium

Systemtic Name: [4-[[3-(4-ethanoyl-5-methyl-furan-2-yl)propanoylamino]methyl]phenyl]methyl-diethyl-azanium Openeye Name: [4-[[3-(4-acetyl-5-methyl-2-furyl)propanoylamino]methyl]phenyl]methyl-diethyl-ammonium CAS Name: [4-[[[3-(4-acetyl-5-methyl-2-furanyl)-1-oxopropyl]amino]methyl]phenyl]methyl-diethylammonium IUPAC Name: [4-[[3-(4-acetyl-5-methylfuran-2-yl)propanoylamino]methyl]phenyl]methyl-diethylazanium Traditional Name: [4-[[3-(4-acetyl-5-methyl-2-furyl)propanoylamino]methyl]benzyl]-diethyl-ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=CC(=C(O2)C)C(=O)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=C(C=C1)CNC(=O)CCC2=CC(=C(O2)C)C(=O)C

InChI

InChI=1S/C22H30N2O3/c1-5-24(6-2)15-19-9-7-18(8-10-19)14-23-22(26)12-11-20-13-21(16(3)25)17(4)27-20/h7-10,13H,5-6,11-12,14-15H2,1-4H3,(H,23,26)/p+1