methyl-[3-(3-oxidanylidenebutanoylamino)propyl]-(phenylmethyl)azanium

Systemtic Name: methyl-[3-(3-oxidanylidenebutanoylamino)propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-(3-oxobutanoylamino)propyl]ammonium CAS Name: 3-(1,3-dioxobutylamino)propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-(3-oxobutanoylamino)propyl]azanium Traditional Name: 3-(acetoacetylamino)propyl-benzyl-methyl-ammonium Formula: C15H23N2O2+ MolecularWeight: 263.35532

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NCCC[NH+](C)CC1=CC=CC=C1

Isomeric SMILES

CC(=O)CC(=O)NCCC[NH+](C)CC1=CC=CC=C1

InChI

InChI=1S/C15H22N2O2/c1-13(18)11-15(19)16-9-6-10-17(2)12-14-7-4-3-5-8-14/h3-5,7-8H,6,9-12H2,1-2H3,(H,16,19)/p+1