N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(2R)-3-oxidanylidenepiperazin-1-ium-2-yl]ethanamide Openeye Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide CAS Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(2R)-3-oxo-2-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[(2R)-3-oxopiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-ketopiperazin-1-ium-2-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CC4C(=O)NCC[NH2+]4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)C[C@@H]4C(=O)NCC[NH2+]4

InChI

InChI=1S/C20H20N4O2S/c1-12-2-7-15-17(10-12)27-20(24-15)13-3-5-14(6-4-13)23-18(25)11-16-19(26)22-9-8-21-16/h2-7,10,16,21H,8-9,11H2,1H3,(H,22,26)(H,23,25)/p+1/t16-/m1/s1