N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide

Systemtic Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide Openeye Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide CAS Name: N-[[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide IUPAC Name: N-[[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]methyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]-N-[[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]methyl]acetamide Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C21H25N5O2S/c1-25-8-10-26(11-9-25)19-7-6-15(13-22-19)14-23-20(27)12-18-21(28)24-16-4-2-3-5-17(16)29-18/h2-7,13,18H,8-12,14H2,1H3,(H,23,27)(H,24,28)/p+1/t18-/m1/s1