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

Systemtic Name: dimethyl-[[2-[(3-oxidanylidenebutanoylamino)methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[2-[(3-oxobutanoylamino)methyl]phenyl]methyl]ammonium CAS Name: [2-[(1,3-dioxobutylamino)methyl]phenyl]methyl-dimethylammonium IUPAC Name: dimethyl-[[2-[(3-oxobutanoylamino)methyl]phenyl]methyl]azanium Traditional Name: [2-[(acetoacetylamino)methyl]benzyl]-dimethyl-ammonium Formula: C14H21N2O2+ MolecularWeight: 249.32874

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NCC1=CC=CC=C1C[NH+](C)C

Isomeric SMILES

CC(=O)CC(=O)NCC1=CC=CC=C1C[NH+](C)C

InChI

InChI=1S/C14H20N2O2/c1-11(17)8-14(18)15-9-12-6-4-5-7-13(12)10-16(2)3/h4-7H,8-10H2,1-3H3,(H,15,18)/p+1