3-[4-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxidanylidene-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(5Z)-5-[(4-tert-butylphenyl)methylene]-4-oxo-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxo-2-thiazolyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[(5Z)-5-[(4-tert-butylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[(5Z)-5-(4-tert-butylbenzylidene)-4-keto-2-thiazolin-2-yl]piperazin-1-ium-1-yl]propionitrile Formula: C21H27N4OS+ MolecularWeight: 383.53028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C=C2C(=O)N=C(S2)N3CC[NH+](CC3)CCC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C\2/C(=O)N=C(S2)N3CC[NH+](CC3)CCC#N

InChI

InChI=1S/C21H26N4OS/c1-21(2,3)17-7-5-16(6-8-17)15-18-19(26)23-20(27-18)25-13-11-24(12-14-25)10-4-9-22/h5-8,15H,4,10-14H2,1-3H3/p+1/b18-15-