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

Systemtic Name: 3-[4-[(5Z)-4-oxidanylidene-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(5Z)-5-[(4-isopropylphenyl)methylene]-4-oxo-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[(5Z)-4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-2-thiazolyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[(5Z)-4-oxo-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[(5Z)-5-(4-isopropylbenzylidene)-4-keto-2-thiazolin-2-yl]piperazin-1-ium-1-yl]propionitrile Formula: C20H25N4OS+ MolecularWeight: 369.5037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4OS/c1-15(2)17-6-4-16(5-7-17)14-18-19(25)22-20(26-18)24-12-10-23(11-13-24)9-3-8-21/h4-7,14-15H,3,9-13H2,1-2H3/p+1/b18-14-