3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide Openeye Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-methylthiazol-2-ylidene)benzamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-N-(3-methyl-2-thiazolylidene)benzamide IUPAC Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-methyl-1,3-thiazol-2-ylidene)benzamide Traditional Name: 3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-N-(3-methyl-4-thiazolin-2-ylidene)benzamide Formula: C16H21N4O3S2+ MolecularWeight: 381.49294

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N=C3N(C=CS3)C

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)N=C3N(C=CS3)C

InChI

InChI=1S/C16H20N4O3S2/c1-18-6-8-20(9-7-18)25(22,23)14-5-3-4-13(12-14)15(21)17-16-19(2)10-11-24-16/h3-5,10-12H,6-9H2,1-2H3/p+1