[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl]-(2-furylmethyl)-(2-thienylmethyl)ammonium CAS Name: [2-(3-bromoanilino)-2-oxoethyl]-(2-furanylmethyl)-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl]-(furan-2-ylmethyl)-(thiophen-2-ylmethyl)azanium Traditional Name: [2-(3-bromoanilino)-2-keto-ethyl]-(2-furfuryl)-(2-thenyl)ammonium Formula: C18H18BrN2O2S+ MolecularWeight: 406.31672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CS3

InChI

InChI=1S/C18H17BrN2O2S/c19-14-4-1-5-15(10-14)20-18(22)13-21(11-16-6-2-8-23-16)12-17-7-3-9-24-17/h1-10H,11-13H2,(H,20,22)/p+1