[(3R)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-cyano-2-oxidanylidene-propyl]-dibutyl-azanium

Systemtic Name: [(3R)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-cyano-2-oxidanylidene-propyl]-dibutyl-azanium Openeye Name: [(3R)-3-[4-(4-bromophenyl)thiazol-2-yl]-3-cyano-2-oxo-propyl]-dibutyl-ammonium CAS Name: [(3R)-3-[4-(4-bromophenyl)-2-thiazolyl]-3-cyano-2-oxopropyl]-dibutylammonium IUPAC Name: [(3R)-3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-cyano-2-oxopropyl]-dibutylazanium Traditional Name: [(3R)-3-[4-(4-bromophenyl)thiazol-2-yl]-3-cyano-2-keto-propyl]-dibutyl-ammonium Formula: C21H27BrN3OS+ MolecularWeight: 449.42758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC(=O)C(C#N)C1=NC(=CS1)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCC[NH+](CCCC)CC(=O)[C@@H](C#N)C1=NC(=CS1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H26BrN3OS/c1-3-5-11-25(12-6-4-2)14-20(26)18(13-23)21-24-19(15-27-21)16-7-9-17(22)10-8-16/h7-10,15,18H,3-6,11-12,14H2,1-2H3/p+1/t18-/m1/s1