[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium

Systemtic Name: [2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium Openeye Name: [2-(2-bromoanilino)-2-oxo-ethyl]-methyl-[[5-(2-thienyl)isoxazol-3-yl]methyl]ammonium CAS Name: [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-3-isoxazolyl)methyl]ammonium IUPAC Name: [2-(2-bromoanilino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium Traditional Name: [2-(2-bromoanilino)-2-keto-ethyl]-methyl-[[5-(2-thienyl)isoxazol-3-yl]methyl]ammonium Formula: C17H17BrN3O2S+ MolecularWeight: 407.30478

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NOC(=C1)C2=CC=CS2)CC(=O)NC3=CC=CC=C3Br

Isomeric SMILES

C[NH+](CC1=NOC(=C1)C2=CC=CS2)CC(=O)NC3=CC=CC=C3Br

InChI

InChI=1S/C17H16BrN3O2S/c1-21(11-17(22)19-14-6-3-2-5-13(14)18)10-12-9-15(23-20-12)16-7-4-8-24-16/h2-9H,10-11H2,1H3,(H,19,22)/p+1