[5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]azanium

Systemtic Name: [5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl]azanium Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl]-[[5-(4-bromophenyl)-2-furyl]methyl]-methyl-ammonium CAS Name: [5-(4-bromophenyl)-2-furanyl]methyl-methyl-[2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl]ammonium IUPAC Name: [5-(4-bromophenyl)furan-2-yl]methyl-methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]azanium Traditional Name: [2-(allylcarbamoylamino)-2-keto-ethyl]-[[5-(4-bromophenyl)-2-furyl]methyl]-methyl-ammonium Formula: C18H21BrN3O3+ MolecularWeight: 407.28164

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(O1)C2=CC=C(C=C2)Br)CC(=O)NC(=O)NCC=C

Isomeric SMILES

C[NH+](CC1=CC=C(O1)C2=CC=C(C=C2)Br)CC(=O)NC(=O)NCC=C

InChI

InChI=1S/C18H20BrN3O3/c1-3-10-20-18(24)21-17(23)12-22(2)11-15-8-9-16(25-15)13-4-6-14(19)7-5-13/h3-9H,1,10-12H2,2H3,(H2,20,21,23,24)/p+1