(2S)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(4-ethylpiperazin-1-ium-1-yl)-3-oxidanylidene-butanenitrile

Systemtic Name: (2S)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(4-ethylpiperazin-1-ium-1-yl)-3-oxidanylidene-butanenitrile Openeye Name: (2S)-2-[4-(4-bromophenyl)thiazol-2-yl]-4-(4-ethylpiperazin-1-ium-1-yl)-3-oxo-butanenitrile CAS Name: (2S)-2-[4-(4-bromophenyl)-2-thiazolyl]-4-(4-ethyl-1-piperazin-1-iumyl)-3-oxobutanenitrile IUPAC Name: (2S)-2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(4-ethylpiperazin-1-ium-1-yl)-3-oxobutanenitrile Traditional Name: (2S)-2-[4-(4-bromophenyl)thiazol-2-yl]-4-(4-ethylpiperazin-1-ium-1-yl)-3-keto-butyronitrile Formula: C19H22BrN4OS+ MolecularWeight: 434.37318

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)C(C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)[C@H](C#N)C2=NC(=CS2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H21BrN4OS/c1-2-23-7-9-24(10-8-23)12-18(25)16(11-21)19-22-17(13-26-19)14-3-5-15(20)6-4-14/h3-6,13,16H,2,7-10,12H2,1H3/p+1/t16-/m0/s1