[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl]-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: [2-(4-bromoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl]-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: [2-(4-bromoanilino)-2-keto-ethyl]-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C17H21BrN3O2S+ MolecularWeight: 411.33654

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CC[NH+](CC(=O)NCC1=CC=CS1)CC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C17H20BrN3O2S/c1-2-21(11-16(22)19-10-15-4-3-9-24-15)12-17(23)20-14-7-5-13(18)6-8-14/h3-9H,2,10-12H2,1H3,(H,19,22)(H,20,23)/p+1