N-(4-methyl-1,3-benzothiazol-2-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-(phenylmethyl)ethanamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-(3-oxidanylidenepiperazin-1-ium-1-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-2-(3-oxo-1-piperazin-1-iumyl)-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-2-(3-oxopiperazin-1-ium-1-yl)acetamide Traditional Name: N-benzyl-2-(3-ketopiperazin-1-ium-1-yl)-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CCNC(=O)C4

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C[NH+]4CCNC(=O)C4

InChI

InChI=1S/C21H22N4O2S/c1-15-6-5-9-17-20(15)23-21(28-17)25(12-16-7-3-2-4-8-16)19(27)14-24-11-10-22-18(26)13-24/h2-9H,10-14H2,1H3,(H,22,26)/p+1