2-[4-[(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[(4-methyl-2-oxidanylidene-1,3-thiazol-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[(4-methyl-2-oxo-thiazol-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[(4-methyl-2-oxo-3-thiazolyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[(4-methyl-2-oxo-1,3-thiazol-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[(2-keto-4-methyl-4-thiazolin-3-yl)methyl]piperazin-4-ium-1-yl]sulfonylbenzonitrile Formula: C16H19N4O3S2+ MolecularWeight: 379.47706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=O)N1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CC1=CSC(=O)N1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C16H18N4O3S2/c1-13-11-24-16(21)20(13)12-18-6-8-19(9-7-18)25(22,23)15-5-3-2-4-14(15)10-17/h2-5,11H,6-9,12H2,1H3/p+1