2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-N-(4-methylpiperazin-4-ium-1-yl)ethanamide

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-N-(4-methylpiperazin-4-ium-1-yl)ethanamide Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]-N-(4-methylpiperazin-4-ium-1-yl)acetamide CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-methyl-1-piperazin-4-iumyl)acetamide IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-N-(4-methylpiperazin-4-ium-1-yl)acetamide Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]-N-(4-methylpiperazin-4-ium-1-yl)acetamide Formula: C15H22N5O3S+ MolecularWeight: 352.43188

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=O)CN(C)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H21N5O3S/c1-18-7-9-20(10-8-18)16-14(21)11-19(2)15-12-5-3-4-6-13(12)24(22,23)17-15/h3-6H,7-11H2,1-2H3,(H,16,21)/p+1