4-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzenecarbonitrile Openeye Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-yl]benzonitrile CAS Name: 4-[2-(4-methyl-1-piperazin-4-iumyl)-4-thiazolyl]benzonitrile IUPAC Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-4-yl]benzonitrile Traditional Name: 4-[2-(4-methylpiperazin-4-ium-1-yl)thiazol-4-yl]benzonitrile Formula: C15H17N4S+ MolecularWeight: 285.38728

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C15H16N4S/c1-18-6-8-19(9-7-18)15-17-14(11-20-15)13-4-2-12(10-16)3-5-13/h2-5,11H,6-9H2,1H3/p+1