diethyl-[[2-[(3-oxidanylidenebutanoylamino)methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[(3-oxidanylidenebutanoylamino)methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[(3-oxobutanoylamino)methyl]phenyl]methyl]ammonium CAS Name: [2-[(1,3-dioxobutylamino)methyl]phenyl]methyl-diethylammonium IUPAC Name: diethyl-[[2-[(3-oxobutanoylamino)methyl]phenyl]methyl]azanium Traditional Name: [2-[(acetoacetylamino)methyl]benzyl]-diethyl-ammonium Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CC(=O)C

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)CC(=O)C

InChI

InChI=1S/C16H24N2O2/c1-4-18(5-2)12-15-9-7-6-8-14(15)11-17-16(20)10-13(3)19/h6-9H,4-5,10-12H2,1-3H3,(H,17,20)/p+1