1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]ethanone Formula: C18H22N5OS+ MolecularWeight: 356.46518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCSC3=CC=CC=C32)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCSC3=CC=CC=C32)C4=NC=CC=N4

InChI

InChI=1S/C18H21N5OS/c24-17(23-12-13-25-16-5-2-1-4-15(16)23)14-21-8-10-22(11-9-21)18-19-6-3-7-20-18/h1-7H,8-14H2/p+1