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

Systemtic Name: 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-ethyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-1-(4-ethylpiperazin-4-ium-1-yl)propan-1-one Formula: C16H23N4O3S+ MolecularWeight: 351.44382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3S/c1-2-19-9-11-20(12-10-19)15(21)7-8-17-16-13-5-3-4-6-14(13)24(22,23)18-16/h3-6H,2,7-12H2,1H3,(H,17,18)/p+1