[(1S)-1-(2-methoxyphenyl)ethyl]-methyl-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]azanium

Systemtic Name: [(1S)-1-(2-methoxyphenyl)ethyl]-methyl-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]azanium Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]-methyl-ammonium CAS Name: [(1S)-1-(2-methoxyphenyl)ethyl]-methyl-[2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl]ammonium IUPAC Name: [(1S)-1-(2-methoxyphenyl)ethyl]-methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium Traditional Name: [2-(allylcarbamoylamino)-2-keto-ethyl]-[(1S)-1-(2-methoxyphenyl)ethyl]-methyl-ammonium Formula: C16H24N3O3+ MolecularWeight: 306.38006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1OC)[NH+](C)CC(=O)NC(=O)NCC=C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1OC)[NH+](C)CC(=O)NC(=O)NCC=C

InChI

InChI=1S/C16H23N3O3/c1-5-10-17-16(21)18-15(20)11-19(3)12(2)13-8-6-7-9-14(13)22-4/h5-9,12H,1,10-11H2,2-4H3,(H2,17,18,20,21)/p+1/t12-/m0/s1