[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanoate Openeye Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetic acid [2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl] 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]acetic acid [2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl] ester Formula: C21H23N4O4S+ MolecularWeight: 427.49672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)COC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N4O4S/c26-19(25-11-9-24(10-12-25)18-7-3-4-8-22-18)14-29-20(27)13-17-21(28)23-15-5-1-2-6-16(15)30-17/h1-8,17H,9-14H2,(H,23,28)/p+1/t17-/m1/s1