2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]ethanamide Openeye Name: 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide CAS Name: 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Traditional Name: 2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]-N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]acetamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCNC(=O)CC2C(=O)NC3=CC=CC=C3S2)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCNC(=O)C[C@@H]2C(=O)NC3=CC=CC=C3S2)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2S/c27-21(16-20-22(28)24-18-8-4-5-9-19(18)29-20)23-10-11-25-12-14-26(15-13-25)17-6-2-1-3-7-17/h1-9,20H,10-16H2,(H,23,27)(H,24,28)/p+1/t20-/m1/s1