N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(3-oxidanylidenepiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(3-oxo-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-2-(3-ketopiperazin-1-ium-1-yl)-N-methyl-acetamide Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N(C)C(=O)C[NH+]3CCNC(=O)C3

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)N(C)C(=O)C[NH+]3CCNC(=O)C3

InChI

InChI=1S/C16H20N4O2S/c1-11(16-18-12-5-3-4-6-13(12)23-16)19(2)15(22)10-20-8-7-17-14(21)9-20/h3-6,11H,7-10H2,1-2H3,(H,17,21)/p+1/t11-/m1/s1