2-(4-bromanylphenoxy)ethyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: 2-(4-bromanylphenoxy)ethyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: 2-(4-bromophenoxy)ethyl-[2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl]-methyl-ammonium CAS Name: 2-(4-bromophenoxy)ethyl-[2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl]-methylammonium IUPAC Name: 2-(4-bromophenoxy)ethyl-[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]-methylazanium Traditional Name: 2-(4-bromophenoxy)ethyl-[2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl]-methyl-ammonium Formula: C16H17BrN3O2S+ MolecularWeight: 395.29408

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=C(C=C1)Br)CC(=O)NC2=C(C=CS2)C#N

Isomeric SMILES

C[NH+](CCOC1=CC=C(C=C1)Br)CC(=O)NC2=C(C=CS2)C#N

InChI

InChI=1S/C16H16BrN3O2S/c1-20(7-8-22-14-4-2-13(17)3-5-14)11-15(21)19-16-12(10-18)6-9-23-16/h2-6,9H,7-8,11H2,1H3,(H,19,21)/p+1