(2R)-2-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzothiazin-3-one

Systemtic Name: (2R)-2-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzothiazin-3-one Openeye Name: (2R)-2-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzothiazin-3-one CAS Name: (2R)-2-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: (2R)-2-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzothiazin-3-one Traditional Name: (2R)-2-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzothiazin-3-one Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C[C@@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4O2S/c25-19(13-18-20(26)22-16-3-1-2-4-17(16)27-18)24-11-9-23(10-12-24)14-15-5-7-21-8-6-15/h1-8,18H,9-14H2,(H,22,26)/p+1/t18-/m1/s1