3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C15H21N4O3S+ MolecularWeight: 337.41724

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C15H20N4O3S/c1-18-8-10-19(11-9-18)14(20)6-7-16-15-12-4-2-3-5-13(12)23(21,22)17-15/h2-5H,6-11H2,1H3,(H,16,17)/p+1