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

Systemtic Name: (2R)-2-[2-oxidanylidene-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzothiazin-3-one Openeye Name: (2R)-2-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzothiazin-3-one CAS Name: (2R)-2-[2-oxo-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: (2R)-2-[2-oxo-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzothiazin-3-one Traditional Name: (2R)-2-[2-keto-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]ethyl]-4H-1,4-benzothiazin-3-one Formula: C20H27N4O3S+ MolecularWeight: 403.51838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C[C@@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C20H26N4O3S/c25-18(13-17-20(27)21-15-5-1-2-6-16(15)28-17)24-11-9-22(10-12-24)14-19(26)23-7-3-4-8-23/h1-2,5-6,17H,3-4,7-14H2,(H,21,27)/p+1/t17-/m1/s1