1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)ethanone Openeye Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]-2-[4-(2-pyrazinyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(3R)-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl]-2-(4-pyrazin-2-ylpiperazin-1-ium-1-yl)ethanone Formula: C24H26N5OS+ MolecularWeight: 432.56114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2C(CSC3=CC=CC=C32)C4=CC=CC=C4)C5=NC=CN=C5

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2[C@@H](CSC3=CC=CC=C32)C4=CC=CC=C4)C5=NC=CN=C5

InChI

InChI=1S/C24H25N5OS/c30-24(17-27-12-14-28(15-13-27)23-16-25-10-11-26-23)29-20-8-4-5-9-22(20)31-18-21(29)19-6-2-1-3-7-19/h1-11,16,21H,12-15,17-18H2/p+1/t21-/m0/s1