2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C19H22N5O3S+ MolecularWeight: 400.47468

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CN(CC(=O)N1CCN(CC1)C2=CC=[NH+]C=C2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C19H21N5O3S/c1-22(19-16-4-2-3-5-17(16)28(26,27)21-19)14-18(25)24-12-10-23(11-13-24)15-6-8-20-9-7-15/h2-9H,10-14H2,1H3/p+1